smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCO[C@H]3c3ccccc3)CC2)[nH+]c1 ZINC000157759633 835077222 /nfs/dbraw/zinc/07/72/22/835077222.db2.gz HNAIMYUHFZFVJH-IRLDBZIGSA-N 1 1 379.504 3.643 10 0 GHAEMO Cc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1OCC(F)F ZINC000157760676 835077937 /nfs/dbraw/zinc/07/79/37/835077937.db2.gz VJRQFJPEOQDFLP-UHFFFAOYSA-N 1 1 392.450 3.859 10 0 GHAEMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(F)cc(Br)c3)n1)OC2 ZINC000329619553 835435923 /nfs/dbraw/zinc/43/59/23/835435923.db2.gz TYLBXVVDGHMBDY-XJKSGUPXSA-N 1 1 382.233 3.564 10 0 GHAEMO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000329620624 835450101 /nfs/dbraw/zinc/45/01/01/835450101.db2.gz FLWONLOSFCWDDE-DOTOQJQBSA-N 1 1 381.524 3.588 10 0 GHAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000329632115 835476498 /nfs/dbraw/zinc/47/64/98/835476498.db2.gz IMELSAKZAWJLOH-HOTGVXAUSA-N 1 1 382.508 3.733 10 0 GHAEMO Fc1ccc(C2(c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)CCCC2)c(F)c1 ZINC000329748454 835860774 /nfs/dbraw/zinc/86/07/74/835860774.db2.gz ZZGYEJHAUADZAU-YOEHRIQHSA-N 1 1 375.419 3.744 10 0 GHAEMO Fc1ccc(C2(c3nc([C@@H]4C[N@H+]5CCC[C@H]5CO4)no3)CCCC2)c(F)c1 ZINC000329748454 835860783 /nfs/dbraw/zinc/86/07/83/835860783.db2.gz ZZGYEJHAUADZAU-YOEHRIQHSA-N 1 1 375.419 3.744 10 0 GHAEMO O=C(N[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332818919 844577840 /nfs/dbraw/zinc/57/78/40/844577840.db2.gz AULAPDUFKQFGRQ-UXHICEINSA-N 1 1 392.547 3.888 10 0 GHAEMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000106548346 841026672 /nfs/dbraw/zinc/02/66/72/841026672.db2.gz JZWLOFZYVJBBAU-VQTJNVASSA-N 1 1 381.524 3.701 10 0 GHAEMO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)c12 ZINC000247486455 842449916 /nfs/dbraw/zinc/44/99/16/842449916.db2.gz TWXRURSUMRBHGB-PBHICJAKSA-N 1 1 395.551 3.681 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000162518188 843261477 /nfs/dbraw/zinc/26/14/77/843261477.db2.gz YTWMJSWNMARRIV-UHFFFAOYSA-N 1 1 390.325 3.597 10 0 GHAEMO Cc1cc(Br)ccc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162563987 843275650 /nfs/dbraw/zinc/27/56/50/843275650.db2.gz XYJNPPAHRLDZRW-UHFFFAOYSA-N 1 1 376.298 3.586 10 0 GHAEMO Cc1cccnc1/C=C\C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000588453440 843323625 /nfs/dbraw/zinc/32/36/25/843323625.db2.gz XYBCRZWOCAQPSY-GDCKJWNLSA-N 1 1 387.487 3.685 10 0 GHAEMO COc1cc(/C=C(\C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)ccc1O ZINC000588503110 846349524 /nfs/dbraw/zinc/34/95/24/846349524.db2.gz UMFDNFVHLPQYRR-KEZQOSDHSA-N 1 1 394.515 3.883 10 0 GHAEMO CCC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000152420400 847026345 /nfs/dbraw/zinc/02/63/45/847026345.db2.gz LRBSLESKAAODEQ-JXFKEZNVSA-N 1 1 380.492 3.706 10 0 GHAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000329608115 861757995 /nfs/dbraw/zinc/75/79/95/861757995.db2.gz BNWDVXUHNUNWRY-DYESRHJHSA-N 1 1 377.488 3.638 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000153727140 848957736 /nfs/dbraw/zinc/95/77/36/848957736.db2.gz ILBZWRGMZVSZGD-FPOVZHCZSA-N 1 1 396.535 3.552 10 0 GHAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000246895323 854446882 /nfs/dbraw/zinc/44/68/82/854446882.db2.gz HCKWTRXJDYRYND-PMACEKPBSA-N 1 1 396.535 3.878 10 0 GHAEMO Cc1cc([C@@H]2CCCN(c3ccnc(N[C@H]4CCCO[C@H]4C(C)C)n3)C2)[nH]n1 ZINC000328786071 854555872 /nfs/dbraw/zinc/55/58/72/854555872.db2.gz JACWGZKUGFRMLY-UWVAXJGDSA-N 1 1 384.528 3.508 10 0 GHAEMO Cc1cc([C@@H]2CCCN(c3cc[nH+]c(N[C@H]4CCCO[C@H]4C(C)C)n3)C2)n[nH]1 ZINC000328786071 854555884 /nfs/dbraw/zinc/55/58/84/854555884.db2.gz JACWGZKUGFRMLY-UWVAXJGDSA-N 1 1 384.528 3.508 10 0 GHAEMO Cc1csc2nc(C)nc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3ccnn3C)c12 ZINC000328916964 854621242 /nfs/dbraw/zinc/62/12/42/854621242.db2.gz ARWCEWRUGAWLAG-MAUKXSAKSA-N 1 1 384.553 3.561 10 0 GHAEMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000102695964 860820935 /nfs/dbraw/zinc/82/09/35/860820935.db2.gz RRTPAKXHCVOOPH-ZIAGYGMSSA-N 1 1 376.884 3.885 10 0 GHAEMO C[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1Br ZINC000102683969 860838003 /nfs/dbraw/zinc/83/80/03/860838003.db2.gz MOCNVDSOKUWEJV-GUYCJALGSA-N 1 1 389.293 3.740 10 0 GHAEMO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)n2)cc1F ZINC000329020961 860952212 /nfs/dbraw/zinc/95/22/12/860952212.db2.gz HVNSFSYZYMNMGT-SWLSCSKDSA-N 1 1 383.427 3.995 10 0 GHAEMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)n2)cc1F ZINC000329020961 860952224 /nfs/dbraw/zinc/95/22/24/860952224.db2.gz HVNSFSYZYMNMGT-SWLSCSKDSA-N 1 1 383.427 3.995 10 0 GHAEMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000103309821 863952253 /nfs/dbraw/zinc/95/22/53/863952253.db2.gz OSBJOUNAXFBXCR-RXVVDRJESA-N 1 1 380.536 3.981 10 0 GHAEMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000245471813 867347948 /nfs/dbraw/zinc/34/79/48/867347948.db2.gz OHPRRGPZLCDTBR-RMVXJAJNSA-N 1 1 399.560 3.960 10 0 GHAEMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000268811662 867813961 /nfs/dbraw/zinc/81/39/61/867813961.db2.gz OMIKVWIFAKWQNQ-KGVIQGDOSA-N 1 1 386.561 3.651 10 0 GHAEMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000268811662 867813975 /nfs/dbraw/zinc/81/39/75/867813975.db2.gz OMIKVWIFAKWQNQ-KGVIQGDOSA-N 1 1 386.561 3.651 10 0 GHAEMO C[C@@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)[N@@H+]1CCc2sccc2C1 ZINC000172224721 882188344 /nfs/dbraw/zinc/18/83/44/882188344.db2.gz YEEDHPCHEPABDT-HOCLYGCPSA-N 1 1 390.578 3.540 10 0 GHAEMO C[C@@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)[N@H+]1CCc2sccc2C1 ZINC000172224721 882188350 /nfs/dbraw/zinc/18/83/50/882188350.db2.gz YEEDHPCHEPABDT-HOCLYGCPSA-N 1 1 390.578 3.540 10 0 GHAEMO Cc1ccc(N2CCC(C(=O)NC3(c4noc(C(C)C)n4)CCCC3)CC2)[nH+]c1 ZINC000175188263 882556363 /nfs/dbraw/zinc/55/63/63/882556363.db2.gz RRBQJFKLUFMAFY-UHFFFAOYSA-N 1 1 397.523 3.699 10 0 GHAEMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000175791266 882628525 /nfs/dbraw/zinc/62/85/25/882628525.db2.gz JHNYKZUOGHCQRN-PMACEKPBSA-N 1 1 399.564 3.737 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CCc3ncc(-c4ccccc4)o3)CC2)[nH+]1 ZINC000116668143 873614222 /nfs/dbraw/zinc/61/42/22/873614222.db2.gz VFIWSKBXSQQWFG-UHFFFAOYSA-N 1 1 390.487 3.763 10 0 GHAEMO Fc1ccc(Br)c(CNC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000178708603 882932245 /nfs/dbraw/zinc/93/22/45/882932245.db2.gz YFAKPYUQLGKFKO-UHFFFAOYSA-N 1 1 378.289 3.737 10 0 GHAEMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ncc(Br)s1 ZINC000179231699 882982786 /nfs/dbraw/zinc/98/27/86/882982786.db2.gz BKQSWYCUSGJVOW-IPYPFGDCSA-N 1 1 395.370 3.862 10 0 GHAEMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ncc(Br)s1 ZINC000179231699 882982798 /nfs/dbraw/zinc/98/27/98/882982798.db2.gz BKQSWYCUSGJVOW-IPYPFGDCSA-N 1 1 395.370 3.862 10 0 GHAEMO CCOc1ccc(-c2nc(C[NH+]3CCC(n4cncn4)CC3)cs2)cc1OC ZINC000120609945 876176508 /nfs/dbraw/zinc/17/65/08/876176508.db2.gz KTAAYFXJLAASJP-UHFFFAOYSA-N 1 1 399.520 3.646 10 0 GHAEMO Cc1cccc(NC(=O)C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000103494967 881224734 /nfs/dbraw/zinc/22/47/34/881224734.db2.gz QRBQFUZCPXHCGW-UHFFFAOYSA-N 1 1 375.513 3.512 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)CC2)[nH+]1 ZINC000183503667 883268615 /nfs/dbraw/zinc/26/86/15/883268615.db2.gz LXKWIKBDHYYXDA-OXQOHEQNSA-N 1 1 379.508 3.547 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000185449611 883458604 /nfs/dbraw/zinc/45/86/04/883458604.db2.gz IGSAVGBHCPRSNV-GCJKJVERSA-N 1 1 390.531 3.549 10 0 GHAEMO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000186196564 883618633 /nfs/dbraw/zinc/61/86/33/883618633.db2.gz DDUDMCUQLJFJGD-DYESRHJHSA-N 1 1 384.545 3.720 10 0 GHAEMO CCc1c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cnn1-c1ccccc1C ZINC000186201700 883621884 /nfs/dbraw/zinc/62/18/84/883621884.db2.gz ITGTXFOVGGMTSC-UHFFFAOYSA-N 1 1 391.519 3.572 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)CCCCCc3ccc(F)cc3)C2)CC1 ZINC000189911788 884022822 /nfs/dbraw/zinc/02/28/22/884022822.db2.gz VTLLOEMNTINIJA-JOCHJYFZSA-N 1 1 389.559 3.557 10 0 GHAEMO CCCNc1ccc(CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000192502164 884277375 /nfs/dbraw/zinc/27/73/75/884277375.db2.gz NOCLPVKJVDOPFP-UHFFFAOYSA-N 1 1 381.524 3.680 10 0 GHAEMO Cn1c(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccccc2c1=O ZINC000114481444 886313579 /nfs/dbraw/zinc/31/35/79/886313579.db2.gz KUSRFKQLENVTAL-SFHVURJKSA-N 1 1 399.498 3.703 10 0 GHAEMO Cn1c(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccccc2c1=O ZINC000114481444 886313594 /nfs/dbraw/zinc/31/35/94/886313594.db2.gz KUSRFKQLENVTAL-SFHVURJKSA-N 1 1 399.498 3.703 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000116568037 886366422 /nfs/dbraw/zinc/36/64/22/886366422.db2.gz CEWZDVSPTCULNF-NZSAHSFTSA-N 1 1 384.549 3.900 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)/C=C/c3nc4ccccc4s3)CC2)[nH+]1 ZINC000116670837 886369709 /nfs/dbraw/zinc/36/97/09/886369709.db2.gz BQIADGVAWBZMKC-MDZDMXLPSA-N 1 1 378.501 3.798 10 0 GHAEMO Cc1cc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)ccc1NC(=O)CC(C)C ZINC000121966971 886572818 /nfs/dbraw/zinc/57/28/18/886572818.db2.gz ZKKHWTWCVBQVCI-UHFFFAOYSA-N 1 1 396.535 3.808 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)CCO1 ZINC000124650680 886777719 /nfs/dbraw/zinc/77/77/19/886777719.db2.gz DCZYFRIBCQAOJH-QGZVFWFLSA-N 1 1 387.524 3.725 10 0 GHAEMO CC[C@@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(F)cc1F ZINC000129475609 887303652 /nfs/dbraw/zinc/30/36/52/887303652.db2.gz VVNIGYGMDSUSCE-GOSISDBHSA-N 1 1 376.451 3.814 10 0 GHAEMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(Cl)cc4c3OCOC4)CC2)C1 ZINC000048046524 887402130 /nfs/dbraw/zinc/40/21/30/887402130.db2.gz ZJXCHOOANAPCPX-OAHLLOKOSA-N 1 1 392.927 3.677 10 0 GHAEMO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nccs4)C3)o2)o1 ZINC000195349952 888683581 /nfs/dbraw/zinc/68/35/81/888683581.db2.gz KJIJCQRPVCBDDO-JTQLQIEISA-N 1 1 395.282 3.928 10 0 GHAEMO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nccs4)C3)o2)o1 ZINC000195349952 888683586 /nfs/dbraw/zinc/68/35/86/888683586.db2.gz KJIJCQRPVCBDDO-JTQLQIEISA-N 1 1 395.282 3.928 10 0 GHAEMO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195513453 888684901 /nfs/dbraw/zinc/68/49/01/888684901.db2.gz KQWQKGPSQPGBRH-CQSZACIVSA-N 1 1 389.450 3.561 10 0 GHAEMO C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000245549537 888907626 /nfs/dbraw/zinc/90/76/26/888907626.db2.gz OGIDVFXYSYFPNQ-CBGDNZLLSA-N 1 1 385.939 3.940 10 0 GHAEMO CCOC[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245650914 889165590 /nfs/dbraw/zinc/16/55/90/889165590.db2.gz CHLJEBVAQWRZGR-OGWOLHLISA-N 1 1 397.922 3.540 10 0 GHAEMO Cc1noc(C)c1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245662355 889185584 /nfs/dbraw/zinc/18/55/84/889185584.db2.gz GISJLWXUJOXJKR-KSSFIOAISA-N 1 1 394.878 3.576 10 0 GHAEMO C[C@H](O)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000246517899 891283315 /nfs/dbraw/zinc/28/33/15/891283315.db2.gz OJFUIMFOBGNTBE-SPEDKVCISA-N 1 1 381.520 3.592 10 0 GHAEMO CCN(Cc1ccccc1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246819421 891310828 /nfs/dbraw/zinc/31/08/28/891310828.db2.gz BXFRXTNNFOXAIA-KNQAVFIVSA-N 1 1 380.536 3.832 10 0 GHAEMO COc1c(C)ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000247014978 891333242 /nfs/dbraw/zinc/33/32/42/891333242.db2.gz MOIRVVBBPQNDAO-VQIMIIECSA-N 1 1 382.508 3.739 10 0 GHAEMO CC(C)COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247082669 891343304 /nfs/dbraw/zinc/34/33/04/891343304.db2.gz DCSNIVLWTLQURW-AUSIDOKSSA-N 1 1 395.547 3.686 10 0 GHAEMO Brc1cccc(-c2cnc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)o2)c1 ZINC000247278525 891362333 /nfs/dbraw/zinc/36/23/33/891362333.db2.gz SQBLQJLSBYGDNZ-GDBMZVCRSA-N 1 1 395.322 3.810 10 0 GHAEMO Brc1cccc(-c2cnc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)o2)c1 ZINC000247278525 891362346 /nfs/dbraw/zinc/36/23/46/891362346.db2.gz SQBLQJLSBYGDNZ-GDBMZVCRSA-N 1 1 395.322 3.810 10 0 GHAEMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000247335301 891368041 /nfs/dbraw/zinc/36/80/41/891368041.db2.gz VWJSPKQTIXQYOY-FUHWJXTLSA-N 1 1 383.517 3.557 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCc4ccccn4)c(F)c3)CC[C@H]21 ZINC000247934303 891400117 /nfs/dbraw/zinc/40/01/17/891400117.db2.gz CHCLPHXGCNEXPI-OXQOHEQNSA-N 1 1 398.482 3.748 10 0 GHAEMO Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1-c1ncco1 ZINC000247966317 891403659 /nfs/dbraw/zinc/40/36/59/891403659.db2.gz GVQVGAFEFAETOC-JENIJYKNSA-N 1 1 398.507 3.756 10 0 GHAEMO CCN1c2ccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cc2CCC1=O ZINC000248893019 891479558 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888942828 /nfs/dbraw/zinc/94/28/28/888942828.db2.gz IHSAEPSWUKAOGD-VLCRHTCISA-N 1 1 383.536 3.789 10 0 GHAEMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C)n1CC(F)(F)F ZINC000245739267 889594588 /nfs/dbraw/zinc/59/45/88/889594588.db2.gz XAPSVTYOHRYWCW-GUYCJALGSA-N 1 1 382.430 3.630 10 0 GHAEMO C[C@H]1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC[N@H+]1Cc1ccccc1 ZINC000245961032 890084724 /nfs/dbraw/zinc/08/47/24/890084724.db2.gz XMUJBYHCFIQHRF-QFBILLFUSA-N 1 1 385.533 3.731 10 0 GHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000245973904 890113244 /nfs/dbraw/zinc/11/32/44/890113244.db2.gz FZEMNHPNIMFEKL-OLZOCXBDSA-N 1 1 389.849 3.856 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccnn3C3CCCC3)cc2)C[C@H](C)O1 ZINC000106031711 891216038 /nfs/dbraw/zinc/21/60/38/891216038.db2.gz DFOGUQXCDUPAKO-CALCHBBNSA-N 1 1 382.508 3.860 10 0 GHAEMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccnn3C3CCCC3)cc2)C[C@H](C)O1 ZINC000106031711 891216053 /nfs/dbraw/zinc/21/60/53/891216053.db2.gz 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YIYIVPLKUPINQD-INIZCTEOSA-N 1 1 383.540 3.538 10 0 GHAEMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000252353374 860431891 /nfs/dbraw/zinc/43/18/91/860431891.db2.gz WVMNZTBAUWQJFM-JKSUJKDBSA-N 1 1 390.915 3.826 10 0 GHAEMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000252353374 860431899 /nfs/dbraw/zinc/43/18/99/860431899.db2.gz WVMNZTBAUWQJFM-JKSUJKDBSA-N 1 1 390.915 3.826 10 0 GHAEMO O=C1[C@@H]([N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CCCN1c1ccccc1Cl ZINC000329058027 860981874 /nfs/dbraw/zinc/98/18/74/860981874.db2.gz TXAOTHNPTAPWHI-PBHICJAKSA-N 1 1 386.883 3.585 10 0 GHAEMO O=C1[C@@H]([N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CCCN1c1ccccc1Cl ZINC000329058027 860981888 /nfs/dbraw/zinc/98/18/88/860981888.db2.gz TXAOTHNPTAPWHI-PBHICJAKSA-N 1 1 386.883 3.585 10 0 GHAEMO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000103185335 863906705 /nfs/dbraw/zinc/90/67/05/863906705.db2.gz MPGBXNGEPSRMTK-MJGOQNOKSA-N 1 1 399.510 3.759 10 0 GHAEMO CCn1c(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)nc2c1cccc2F ZINC000103140955 863932007 /nfs/dbraw/zinc/93/20/07/863932007.db2.gz KTDIBDZJCHGJNY-INIZCTEOSA-N 1 1 395.482 3.749 10 0 GHAEMO CCn1c(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)nc2c1cccc2F ZINC000103140955 863932022 /nfs/dbraw/zinc/93/20/22/863932022.db2.gz KTDIBDZJCHGJNY-INIZCTEOSA-N 1 1 395.482 3.749 10 0 GHAEMO O[C@@]12CCCC[C@H]1C[N@H+](Cc1nc(-c3ccc(Br)s3)no1)CC2 ZINC000248215273 864955828 /nfs/dbraw/zinc/95/58/28/864955828.db2.gz ZNKOCAKTKRILIF-MEDUHNTESA-N 1 1 398.326 3.688 10 0 GHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1nc(-c3ccc(Br)s3)no1)CC2 ZINC000248215273 864955832 /nfs/dbraw/zinc/95/58/32/864955832.db2.gz ZNKOCAKTKRILIF-MEDUHNTESA-N 1 1 398.326 3.688 10 0 GHAEMO CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc21 ZINC000172306044 882198066 /nfs/dbraw/zinc/19/80/66/882198066.db2.gz YBPBDXBFKZJNRJ-LAUBAEHRSA-N 1 1 376.504 3.697 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)CCO1 ZINC000176289373 882674661 /nfs/dbraw/zinc/67/46/61/882674661.db2.gz RCJTYNFJMGHWBK-OAHLLOKOSA-N 1 1 399.457 3.899 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000116249932 873370770 /nfs/dbraw/zinc/37/07/70/873370770.db2.gz BOYLCARURLZAIA-KSSFIOAISA-N 1 1 377.410 3.741 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000116475315 873513668 /nfs/dbraw/zinc/51/36/68/873513668.db2.gz DEVNBYFIBNQMOC-DOMZBBRYSA-N 1 1 378.398 3.531 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)NCc3coc(-c4ccccc4)n3)CC2)[nH+]1 ZINC000176857879 882744019 /nfs/dbraw/zinc/74/40/19/882744019.db2.gz OEKCCYRVQSBBQJ-UHFFFAOYSA-N 1 1 391.475 3.513 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)[nH+]1 ZINC000116938779 873794345 /nfs/dbraw/zinc/79/43/45/873794345.db2.gz DVUJCUGJFAEZSL-GDBMZVCRSA-N 1 1 384.446 3.779 10 0 GHAEMO COCCOc1ccc(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c(C)c1 ZINC000117001896 873846594 /nfs/dbraw/zinc/84/65/94/873846594.db2.gz HGGMXVMHHXSRHS-UHFFFAOYSA-N 1 1 398.507 3.514 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)C(=O)Nc3c(C)cccc3C(C)C)CC2)[nH+]1 ZINC000117073758 873854175 /nfs/dbraw/zinc/85/41/75/873854175.db2.gz WIYNLBBXLQWVMS-UHFFFAOYSA-N 1 1 394.519 3.546 10 0 GHAEMO CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000179427854 882998794 /nfs/dbraw/zinc/99/87/94/882998794.db2.gz HKJHWVMBTWFOPQ-SJLPKXTDSA-N 1 1 376.451 3.652 10 0 GHAEMO Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1C(=O)NC(C)C ZINC000179842479 883032910 /nfs/dbraw/zinc/03/29/10/883032910.db2.gz XWLXXHQRKHXJQQ-AVRDEDQJSA-N 1 1 380.536 3.851 10 0 GHAEMO CCn1cnnc1-c1cccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000182859679 883246002 /nfs/dbraw/zinc/24/60/02/883246002.db2.gz HPIODDJDLQSTDC-UWJYYQICSA-N 1 1 376.508 3.683 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CCO1 ZINC000184175741 883327348 /nfs/dbraw/zinc/32/73/48/883327348.db2.gz SVXUZVAEOGAHHS-LBPRGKRZSA-N 1 1 390.833 3.684 10 0 GHAEMO CC(=O)N1CC[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)c2ccc(F)cc2C1 ZINC000185349747 883437630 /nfs/dbraw/zinc/43/76/30/883437630.db2.gz WPFOEIXFSDHSGV-LJQANCHMSA-N 1 1 386.858 3.710 10 0 GHAEMO CCOc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c2ncccc12 ZINC000186084620 883609563 /nfs/dbraw/zinc/60/95/63/883609563.db2.gz SYVKHLILTQFGGH-UHFFFAOYSA-N 1 1 393.491 3.854 10 0 GHAEMO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000186243955 883624803 /nfs/dbraw/zinc/62/48/03/883624803.db2.gz XVWKXGVPFLXDDZ-YWZLYKJASA-N 1 1 381.501 3.750 10 0 GHAEMO COc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000186831876 883709962 /nfs/dbraw/zinc/70/99/62/883709962.db2.gz LZSCWOPXSTWBDY-MAUKXSAKSA-N 1 1 386.471 3.570 10 0 GHAEMO Cc1nc(C[NH+]2CCC(CNC(=O)Cc3ccc(OC(C)C)cc3)CC2)oc1C ZINC000189443980 883955783 /nfs/dbraw/zinc/95/57/83/883955783.db2.gz OSTLPLDKUWGZMV-UHFFFAOYSA-N 1 1 399.535 3.650 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)CC1 ZINC000189950684 884026179 /nfs/dbraw/zinc/02/61/79/884026179.db2.gz UDGGBKZCILGUGM-UHFFFAOYSA-N 1 1 398.898 3.746 10 0 GHAEMO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000192135020 884242424 /nfs/dbraw/zinc/24/24/24/884242424.db2.gz AKSKKNWCOBCXBV-VQIMIIECSA-N 1 1 387.386 3.643 10 0 GHAEMO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)N1CC[NH+](C2CC2)CC1 ZINC000105188317 884665657 /nfs/dbraw/zinc/66/56/57/884665657.db2.gz URZUSORSBGBJDN-GOSISDBHSA-N 1 1 375.925 3.981 10 0 GHAEMO COC(=O)c1cc(F)ccc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000103465762 884992301 /nfs/dbraw/zinc/99/23/01/884992301.db2.gz GLNUTMVUDQCHIJ-UHFFFAOYSA-N 1 1 396.462 3.669 10 0 GHAEMO COC(=O)c1cc(F)ccc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000103465762 884992328 /nfs/dbraw/zinc/99/23/28/884992328.db2.gz GLNUTMVUDQCHIJ-UHFFFAOYSA-N 1 1 396.462 3.669 10 0 GHAEMO COc1ccccc1CCN(C)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000104459120 885453010 /nfs/dbraw/zinc/45/30/10/885453010.db2.gz DROHVIAUUWWFOQ-RTBURBONSA-N 1 1 396.531 3.619 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000116542273 886365273 /nfs/dbraw/zinc/36/52/73/886365273.db2.gz UGBVZFXQGPRHSP-LIRRHRJNSA-N 1 1 390.890 3.584 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)CC2)[nH+]1 ZINC000116666780 886369645 /nfs/dbraw/zinc/36/96/45/886369645.db2.gz UCYZHNXLRXOLGP-UHFFFAOYSA-N 1 1 381.524 3.618 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccccc3SC(F)F)CC2)CCO1 ZINC000124421094 886746509 /nfs/dbraw/zinc/74/65/09/886746509.db2.gz GNNHREPLAAACFR-ZDUSSCGKSA-N 1 1 385.480 3.718 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccccc3SC(F)F)C2)CC1 ZINC000125373279 886860069 /nfs/dbraw/zinc/86/00/69/886860069.db2.gz SYEJRRXKUWHDLG-OAHLLOKOSA-N 1 1 398.523 3.635 10 0 GHAEMO Brc1ccc(-c2nnc(C[NH2+][C@H]3CCCC[C@@H]3n3cccn3)o2)o1 ZINC000128831610 887232287 /nfs/dbraw/zinc/23/22/87/887232287.db2.gz IMMVYZZONIFVGB-RYUDHWBXSA-N 1 1 392.257 3.562 10 0 GHAEMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N(Cc1ccco1)C1CCCC1 ZINC000105162214 887755949 /nfs/dbraw/zinc/75/59/49/887755949.db2.gz AXJZGRYIKYLUBQ-UHFFFAOYSA-N 1 1 397.519 3.766 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000245549615 888907491 /nfs/dbraw/zinc/90/74/91/888907491.db2.gz OHPVEVCRMFELDM-QIJUGHKUSA-N 1 1 395.547 3.965 10 0 GHAEMO CN(C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000245691834 889240029 /nfs/dbraw/zinc/24/00/29/889240029.db2.gz LXRXNVJRZYVYID-KEYYUXOJSA-N 1 1 385.936 3.619 10 0 GHAEMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000245721764 889448662 /nfs/dbraw/zinc/44/86/62/889448662.db2.gz PVHKYKNVWAKNQJ-AVRDEDQJSA-N 1 1 395.547 3.924 10 0 GHAEMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OCc1cccnc1 ZINC000245725756 889485148 /nfs/dbraw/zinc/48/51/48/889485148.db2.gz DSDUKQAZRONZIT-WIYYLYMNSA-N 1 1 392.503 3.949 10 0 GHAEMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000245796744 889745628 /nfs/dbraw/zinc/74/56/28/889745628.db2.gz ANSZRIXQPARQOG-AZUAARDMSA-N 1 1 399.560 3.979 10 0 GHAEMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccncc2Br)C1 ZINC000246040285 890226030 /nfs/dbraw/zinc/22/60/30/890226030.db2.gz OVBYHFROOPVQBF-LSDHHAIUSA-N 1 1 380.330 3.571 10 0 GHAEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccnc2Br)C1 ZINC000246085323 890331075 /nfs/dbraw/zinc/33/10/75/890331075.db2.gz IIGLBWHCQLOBTF-HUUCEWRRSA-N 1 1 380.330 3.571 10 0 GHAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000246351154 891055335 /nfs/dbraw/zinc/05/53/35/891055335.db2.gz FQJQNXRFTCUTBL-FXAWDEMLSA-N 1 1 384.524 3.564 10 0 GHAEMO COc1ccc(/C(C)=C/C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246425716 891235149 /nfs/dbraw/zinc/23/51/49/891235149.db2.gz ISTRDJSTSIEKSK-VCTUQMIESA-N 1 1 379.504 3.520 10 0 GHAEMO CCOc1c(OC)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246468944 891267899 /nfs/dbraw/zinc/26/78/99/891267899.db2.gz OJKFGRSRPVUGNK-DLBZAZTESA-N 1 1 375.465 3.784 10 0 GHAEMO COc1ccc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)cs2)c(OC)c1 ZINC000246619624 891294304 /nfs/dbraw/zinc/29/43/04/891294304.db2.gz DZRNPVBHCVFENT-SJLPKXTDSA-N 1 1 392.546 3.534 10 0 GHAEMO COc1ccc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)cs2)c(OC)c1 ZINC000246619624 891294318 /nfs/dbraw/zinc/29/43/18/891294318.db2.gz DZRNPVBHCVFENT-SJLPKXTDSA-N 1 1 392.546 3.534 10 0 GHAEMO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000246786953 891306809 /nfs/dbraw/zinc/30/68/09/891306809.db2.gz QJTHAYQXTWIHAE-PXNSSMCTSA-N 1 1 395.503 3.599 10 0 GHAEMO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000246786953 891306826 /nfs/dbraw/zinc/30/68/26/891306826.db2.gz QJTHAYQXTWIHAE-PXNSSMCTSA-N 1 1 395.503 3.599 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000247053255 891338640 /nfs/dbraw/zinc/33/86/40/891338640.db2.gz OPYBTUDEHJSNEN-KBXCAEBGSA-N 1 1 390.434 3.715 10 0 GHAEMO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000247040629 891338751 /nfs/dbraw/zinc/33/87/51/891338751.db2.gz SVGVVIMPNOYAOW-VJBWXMMDSA-N 1 1 383.580 3.542 10 0 GHAEMO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247104710 891344425 /nfs/dbraw/zinc/34/44/25/891344425.db2.gz FIVRUBZSCUYAIS-GQIGUUNPSA-N 1 1 387.911 3.529 10 0 GHAEMO CCc1ccc(C(=O)CCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247105656 891345109 /nfs/dbraw/zinc/34/51/09/891345109.db2.gz FMQPJXYDKYVIRF-GCJKJVERSA-N 1 1 393.531 3.634 10 0 GHAEMO CCc1ccc(C(=O)CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247105656 891345127 /nfs/dbraw/zinc/34/51/27/891345127.db2.gz FMQPJXYDKYVIRF-GCJKJVERSA-N 1 1 393.531 3.634 10 0 GHAEMO CCn1cc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c2ccccc21 ZINC000247187621 891352933 /nfs/dbraw/zinc/35/29/33/891352933.db2.gz KTLXRVYGIZWOGI-GCJKJVERSA-N 1 1 390.531 3.626 10 0 GHAEMO Cc1c(-c2cc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)on2)cnn1C ZINC000248608167 891444838 /nfs/dbraw/zinc/44/48/38/891444838.db2.gz GWSQJSOEYKCEPJ-LAUBAEHRSA-N 1 1 384.455 3.611 10 0 GHAEMO Cc1c(-c2cc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)on2)cnn1C ZINC000248608164 891445003 /nfs/dbraw/zinc/44/50/03/891445003.db2.gz GWSQJSOEYKCEPJ-DYESRHJHSA-N 1 1 384.455 3.611 10 0 GHAEMO O=C(NCCC[C@H]1CCCCO1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000248746322 891464437 /nfs/dbraw/zinc/46/44/37/891464437.db2.gz SDRMYNJBKIZRIK-QZTJIDSGSA-N 1 1 379.570 3.609 10 0 GHAEMO CCOCCC[N@H+]1CC[C@@H](NCc2nnc(-c3ccccc3Cl)o2)[C@@H](C)C1 ZINC000249451725 891507523 /nfs/dbraw/zinc/50/75/23/891507523.db2.gz OPVOTYPPPABLHB-MAUKXSAKSA-N 1 1 392.931 3.617 10 0 GHAEMO Cc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(C(F)(F)F)n1 ZINC000249564870 891510521 /nfs/dbraw/zinc/51/05/21/891510521.db2.gz MTVGFSQRFOWBGY-CABCVRRESA-N 1 1 384.446 3.530 10 0 GHAEMO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000253551713 891878772 /nfs/dbraw/zinc/87/87/72/891878772.db2.gz XOJJXEYWSAGPCM-YJBOKZPZSA-N 1 1 396.535 3.571 10 0 GHAEMO CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CC[NH2+]C[C@@H]3c3cccnc3)sc2C1 ZINC000333370534 902043325 /nfs/dbraw/zinc/04/33/25/902043325.db2.gz UZKPAWJAPJSVCD-NVXWUHKLSA-N 1 1 399.564 3.868 10 0 GHAEMO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000011874576 204358482 /nfs/dbraw/zinc/35/84/82/204358482.db2.gz IFYUDVYDAUZTKX-GOSISDBHSA-N 1 1 386.923 3.920 10 0 GHAEMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3cccn3C)C2)cc1C ZINC000036341906 205011143 /nfs/dbraw/zinc/01/11/43/205011143.db2.gz DGUIANCKGUPEMW-QFIPXVFZSA-N 1 1 378.520 3.806 10 0 GHAEMO Cc1c(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cnn1-c1ccccc1 ZINC000156924900 834648234 /nfs/dbraw/zinc/64/82/34/834648234.db2.gz QWYZZFCKTQZOBO-UHFFFAOYSA-N 1 1 390.491 3.675 10 0 GHAEMO Cc1cc(-c2cc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c3c(C)noc3n2)c(C)o1 ZINC000113224862 837821797 /nfs/dbraw/zinc/82/17/97/837821797.db2.gz WRGYTVRINKNVLK-BLLLJJGKSA-N 1 1 394.475 3.717 10 0 GHAEMO CCCc1c(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)[nH]c(C)c1C(C)=O ZINC000157825084 835112637 /nfs/dbraw/zinc/11/26/37/835112637.db2.gz CYJUAEBTEQLDOM-UHFFFAOYSA-N 1 1 382.508 3.580 10 0 GHAEMO CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)no1 ZINC000329607713 835361657 /nfs/dbraw/zinc/36/16/57/835361657.db2.gz CKPKZTQLYHKEEF-SFHVURJKSA-N 1 1 382.508 3.636 10 0 GHAEMO CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)cc2)no1 ZINC000329607713 835361667 /nfs/dbraw/zinc/36/16/67/835361667.db2.gz CKPKZTQLYHKEEF-SFHVURJKSA-N 1 1 382.508 3.636 10 0 GHAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000329613655 835390822 /nfs/dbraw/zinc/39/08/22/835390822.db2.gz CTVIUHSWDSUGBN-IIBYNOLFSA-N 1 1 395.478 3.777 10 0 GHAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000329632116 835476416 /nfs/dbraw/zinc/47/64/16/835476416.db2.gz IMELSAKZAWJLOH-HZPDHXFCSA-N 1 1 382.508 3.733 10 0 GHAEMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000112750398 836279998 /nfs/dbraw/zinc/27/99/98/836279998.db2.gz IKQMCISHMLZQGZ-KRWDZBQOSA-N 1 1 389.588 3.512 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000106211149 840779062 /nfs/dbraw/zinc/77/90/62/840779062.db2.gz VGRKGXPIWFYTRV-PIYZVIGCSA-N 1 1 384.568 3.647 10 0 GHAEMO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1NC(=O)Nc1ccccc1 ZINC000247214200 840960869 /nfs/dbraw/zinc/96/08/69/840960869.db2.gz NQTKDPSZHXTLOK-XLIONFOSSA-N 1 1 392.503 3.948 10 0 GHAEMO CC[C@H](c1nnc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1)c1ccccc1 ZINC000106952218 841157965 /nfs/dbraw/zinc/15/79/65/841157965.db2.gz IINLUJZIWFCBOV-SJORKVTESA-N 1 1 385.537 3.782 10 0 GHAEMO CC[C@H](c1nnc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)s1)c1ccccc1 ZINC000106952218 841157972 /nfs/dbraw/zinc/15/79/72/841157972.db2.gz IINLUJZIWFCBOV-SJORKVTESA-N 1 1 385.537 3.782 10 0 GHAEMO C[C@@H]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c2ccccc21 ZINC000246500512 841760674 /nfs/dbraw/zinc/76/06/74/841760674.db2.gz HOSMZOPLBJZHGC-ZQMYSKGWSA-N 1 1 378.516 3.939 10 0 GHAEMO Cc1nc(-c2cccc(C(=O)N3CCC(Cc4[nH+]ccn4C)CC3)c2)cs1 ZINC000162722423 842855812 /nfs/dbraw/zinc/85/58/12/842855812.db2.gz FOAOJHOQSYWZCZ-UHFFFAOYSA-N 1 1 380.517 3.947 10 0 GHAEMO COc1cc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)ccc1OCC(C)C ZINC000162541324 843272347 /nfs/dbraw/zinc/27/23/47/843272347.db2.gz FGQINEQBKAKROS-UHFFFAOYSA-N 1 1 385.508 3.558 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000162614382 843285178 /nfs/dbraw/zinc/28/51/78/843285178.db2.gz MNVIYZRJONTNAH-UHFFFAOYSA-N 1 1 390.325 3.597 10 0 GHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000247810066 845021619 /nfs/dbraw/zinc/02/16/19/845021619.db2.gz URGWGCKSNIOYCJ-GDBMZVCRSA-N 1 1 383.521 3.811 10 0 GHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000247810066 845021626 /nfs/dbraw/zinc/02/16/26/845021626.db2.gz URGWGCKSNIOYCJ-GDBMZVCRSA-N 1 1 383.521 3.811 10 0 GHAEMO Cn1nc(C(F)F)c2cc(-c3nc([C@H]4C[N@H+]5CCC[C@@]5(C)CO4)no3)sc21 ZINC000329646454 861895786 /nfs/dbraw/zinc/89/57/86/861895786.db2.gz BBQXAGWSSLABTR-QGHHPUGFSA-N 1 1 395.435 3.548 10 0 GHAEMO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)C1 ZINC000328607797 854481815 /nfs/dbraw/zinc/48/18/15/854481815.db2.gz LLEPXPKOLQQSOS-SVMVAKDDSA-N 1 1 380.492 3.609 10 0 GHAEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000328859552 854582666 /nfs/dbraw/zinc/58/26/66/854582666.db2.gz YNHNFKNDVAXBDE-IPRSADBSSA-N 1 1 387.564 3.703 10 0 GHAEMO FC(F)(F)c1ccc(-c2nc(C[NH+]3CCC(n4cncn4)CC3)co2)cc1 ZINC000165271272 854993190 /nfs/dbraw/zinc/99/31/90/854993190.db2.gz SGPNBKBKUNZBTB-UHFFFAOYSA-N 1 1 377.370 3.789 10 0 GHAEMO Fc1ccc2c(c1)[C@@H]([N@H+]1C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C1)CC2 ZINC000330180796 862640543 /nfs/dbraw/zinc/64/05/43/862640543.db2.gz NNNFLMIPOIQZTC-QOEFQVSFSA-N 1 1 391.450 3.707 10 0 GHAEMO CCC[N@@H+](Cc1nc(-c2ccoc2)no1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000105609051 856890989 /nfs/dbraw/zinc/89/09/89/856890989.db2.gz AIQFVPSEZBFVAN-UHFFFAOYSA-N 1 1 394.475 3.846 10 0 GHAEMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)c12 ZINC000195056648 860372551 /nfs/dbraw/zinc/37/25/51/860372551.db2.gz SJKOQCVUJYEKHU-KRWDZBQOSA-N 1 1 397.567 3.928 10 0 GHAEMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000102695956 860820906 /nfs/dbraw/zinc/82/09/06/860820906.db2.gz RRTPAKXHCVOOPH-KBPBESRZSA-N 1 1 376.884 3.885 10 0 GHAEMO FC(F)(F)c1ccc2c(c1)nccc2N1CCC[N@H+](C2CCOCC2)CC1 ZINC000301777554 865533244 /nfs/dbraw/zinc/53/32/44/865533244.db2.gz HEQGUTXZEIJJPB-UHFFFAOYSA-N 1 1 379.426 3.945 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000172168005 882174540 /nfs/dbraw/zinc/17/45/40/882174540.db2.gz AUWAXKJHGUOKHU-RXHHBCLFSA-N 1 1 382.552 3.560 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)CC2)[nH+]c1 ZINC000172962077 882326013 /nfs/dbraw/zinc/32/60/13/882326013.db2.gz ZZPXQBXZPPGOMZ-UHFFFAOYSA-N 1 1 393.516 3.637 10 0 GHAEMO Cc1c(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)sc2cccc(F)c12 ZINC000173280833 882346154 /nfs/dbraw/zinc/34/61/54/882346154.db2.gz ZYILRSOWPQFIJY-MRXNPFEDSA-N 1 1 389.540 3.591 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2ccn(C)c2c1 ZINC000173839909 882407931 /nfs/dbraw/zinc/40/79/31/882407931.db2.gz MQCPLSNUESCYSL-JXFKEZNVSA-N 1 1 377.492 3.605 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)CCO1 ZINC000174317342 882450127 /nfs/dbraw/zinc/45/01/27/882450127.db2.gz UXUPVRXTGXGLOM-CQSZACIVSA-N 1 1 385.430 3.508 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)CCO1 ZINC000176289390 882674698 /nfs/dbraw/zinc/67/46/98/882674698.db2.gz RCJTYNFJMGHWBK-HNNXBMFYSA-N 1 1 399.457 3.899 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000116248162 873368337 /nfs/dbraw/zinc/36/83/37/873368337.db2.gz AZQUJJGWXIDOFI-BEFAXECRSA-N 1 1 389.952 3.854 10 0 GHAEMO Cc1[nH]c2c(cccc2C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000116249871 873369890 /nfs/dbraw/zinc/36/98/90/873369890.db2.gz CPIUIIVIIKGTAE-YCRPNKLZSA-N 1 1 376.504 3.820 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1nc2ccccc2s1 ZINC000116411948 873504251 /nfs/dbraw/zinc/50/42/51/873504251.db2.gz KLDDFRJUZPVHMK-ZBFHGGJFSA-N 1 1 381.505 3.723 10 0 GHAEMO Cc1oc(-c2ccsc2)nc1CC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116669882 873614148 /nfs/dbraw/zinc/61/41/48/873614148.db2.gz AOEPYFRBEUEBNV-UHFFFAOYSA-N 1 1 396.516 3.743 10 0 GHAEMO COc1ccc([C@@H](C)N(C)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000116970651 873800292 /nfs/dbraw/zinc/80/02/92/873800292.db2.gz GEIYICSISIYSIE-QGZVFWFLSA-N 1 1 382.508 3.770 10 0 GHAEMO COc1ccccc1CC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000102410381 882783260 /nfs/dbraw/zinc/78/32/60/882783260.db2.gz BAGHHHQQCUMZPE-UHFFFAOYSA-N 1 1 376.504 3.945 10 0 GHAEMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CC=C(c2cccs2)CC1 ZINC000118014811 874317943 /nfs/dbraw/zinc/31/79/43/874317943.db2.gz MNQDRJUASHMCMC-UHFFFAOYSA-N 1 1 397.544 3.944 10 0 GHAEMO CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000179767695 883026689 /nfs/dbraw/zinc/02/66/89/883026689.db2.gz JTHNANRKGZKWMZ-UHFFFAOYSA-N 1 1 390.915 3.753 10 0 GHAEMO Cc1cc([C@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000180576775 883081371 /nfs/dbraw/zinc/08/13/71/883081371.db2.gz LVRMIWXYVZEAGO-JKSUJKDBSA-N 1 1 381.358 3.909 10 0 GHAEMO CCCN(C(=O)c1ccccc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)C(C)C ZINC000180632284 883088929 /nfs/dbraw/zinc/08/89/29/883088929.db2.gz QZAWRSKEZAXENJ-YLJYHZDGSA-N 1 1 386.540 3.505 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000122018761 878228091 /nfs/dbraw/zinc/22/80/91/878228091.db2.gz HPQGEUZMKWSZPA-UHFFFAOYSA-N 1 1 376.460 3.702 10 0 GHAEMO CC(C)c1cc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)nn1-c1ccccc1 ZINC000122048967 878242276 /nfs/dbraw/zinc/24/22/76/878242276.db2.gz RWXLZNYTTUBUKB-UHFFFAOYSA-N 1 1 391.519 3.824 10 0 GHAEMO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc3ccccc3n2C)c2ccc(F)cc2C1 ZINC000184513665 883350337 /nfs/dbraw/zinc/35/03/37/883350337.db2.gz LBPANQWHYVOCHD-LIRRHRJNSA-N 1 1 380.467 3.857 10 0 GHAEMO COc1cc(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)ccc1OC(C)C ZINC000186263098 883634721 /nfs/dbraw/zinc/63/47/21/883634721.db2.gz NBSJHHHKWRCECH-UHFFFAOYSA-N 1 1 398.507 3.976 10 0 GHAEMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186608464 883673529 /nfs/dbraw/zinc/67/35/29/883673529.db2.gz PUIUNNUWKNBNSS-UHFFFAOYSA-N 1 1 387.528 3.640 10 0 GHAEMO CN1Cc2cc(NC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)ccc2NC1=O ZINC000186654582 883682236 /nfs/dbraw/zinc/68/22/36/883682236.db2.gz TVMUDGQWCDYKJP-UHFFFAOYSA-N 1 1 399.539 3.784 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)[C@H](C)c3cn(C)c4ccccc34)CC2)[nH+]c1 ZINC000187020114 883732202 /nfs/dbraw/zinc/73/22/02/883732202.db2.gz TZCKQTSZKIJUDF-QGZVFWFLSA-N 1 1 376.504 3.770 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3cccnc3SC(F)(F)F)CC2)[nH+]1 ZINC000116670327 886369835 /nfs/dbraw/zinc/36/98/35/886369835.db2.gz UBJMIESJIVNACN-UHFFFAOYSA-N 1 1 396.438 3.796 10 0 GHAEMO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000126588338 886983000 /nfs/dbraw/zinc/98/30/00/886983000.db2.gz FPAVMEMCHPMXCZ-KRWDZBQOSA-N 1 1 398.473 3.648 10 0 GHAEMO COc1cc(F)c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000132264672 887638436 /nfs/dbraw/zinc/63/84/36/887638436.db2.gz JEAFZWVAWUOMQU-BFUOFWGJSA-N 1 1 392.496 3.717 10 0 GHAEMO OCCn1nccc1C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000195509764 888682967 /nfs/dbraw/zinc/68/29/67/888682967.db2.gz HFSXALHLEKLUAK-UHFFFAOYSA-N 1 1 386.883 3.563 10 0 GHAEMO CCOCCCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245716757 889421279 /nfs/dbraw/zinc/42/12/79/889421279.db2.gz QLNMTVCCBDXIFX-YJBOKZPZSA-N 1 1 385.911 3.588 10 0 GHAEMO COC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245745363 889611679 /nfs/dbraw/zinc/61/16/79/889611679.db2.gz WOJZNWGOMNVZTC-SIXWZSSISA-N 1 1 397.922 3.540 10 0 GHAEMO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccncc1 ZINC000245759147 889657836 /nfs/dbraw/zinc/65/78/36/889657836.db2.gz ZAILFJQHLPKXPK-CRFBAAHOSA-N 1 1 390.890 3.927 10 0 GHAEMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1F ZINC000245920183 890016656 /nfs/dbraw/zinc/01/66/56/890016656.db2.gz NQQMJDKDRMABSB-YZVOILCLSA-N 1 1 388.462 3.631 10 0 GHAEMO O[C@@H](C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1C(F)(F)F ZINC000246998741 891330330 /nfs/dbraw/zinc/33/03/30/891330330.db2.gz IKZUNXFPRAWBIO-PBHICJAKSA-N 1 1 390.409 3.661 10 0 GHAEMO CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000247041047 891337745 /nfs/dbraw/zinc/33/77/45/891337745.db2.gz NYIXLWBIMPVLGO-VQIMIIECSA-N 1 1 398.507 3.521 10 0 GHAEMO CCCc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[nH]c(C)c1C(C)=O ZINC000247067591 891341226 /nfs/dbraw/zinc/34/12/26/891341226.db2.gz CBIOVHNEIKKBNV-QRWLVFNGSA-N 1 1 396.535 3.514 10 0 GHAEMO CCCc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[nH]c(C)c1C(C)=O ZINC000247067591 891341239 /nfs/dbraw/zinc/34/12/39/891341239.db2.gz CBIOVHNEIKKBNV-QRWLVFNGSA-N 1 1 396.535 3.514 10 0 GHAEMO CCc1cccc2c(CC(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c[nH]c21 ZINC000247165525 891350385 /nfs/dbraw/zinc/35/03/85/891350385.db2.gz JGMPHRVBCXQLLD-VGSWGCGISA-N 1 1 390.531 3.695 10 0 GHAEMO Cc1[nH]c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2c1C ZINC000247217942 891356316 /nfs/dbraw/zinc/35/63/16/891356316.db2.gz MVHZJSIGLFFLTQ-QVKFZJNVSA-N 1 1 376.504 3.820 10 0 GHAEMO Cc1cccc(OCCCCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247334526 891368099 /nfs/dbraw/zinc/36/80/99/891368099.db2.gz YOYVZHVXSVCJRN-OFNKIYASSA-N 1 1 395.547 3.966 10 0 GHAEMO O[C@@H](C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccc(F)cc1Cl ZINC000248427441 891434831 /nfs/dbraw/zinc/43/48/31/891434831.db2.gz PIDWWSSZDDQPRO-KDOFPFPSSA-N 1 1 392.906 3.710 10 0 GHAEMO CSCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248744448 891464939 /nfs/dbraw/zinc/46/49/39/891464939.db2.gz RSZRJHFCLKQLQS-QFBILLFUSA-N 1 1 384.549 3.977 10 0 GHAEMO O=C1Nc2ccccc2[C@H]1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000248743075 891464998 /nfs/dbraw/zinc/46/49/98/891464998.db2.gz ANUKHDANJFUPKS-XWSHUIEDSA-N 1 1 375.516 3.898 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249197517 891501839 /nfs/dbraw/zinc/50/18/39/891501839.db2.gz RRRLRLCGXUNJLY-HBGVWJBISA-N 1 1 379.483 3.533 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000249427780 891506415 /nfs/dbraw/zinc/50/64/15/891506415.db2.gz IZUNBLUDYLZHBK-ZTFGCOKTSA-N 1 1 398.473 3.712 10 0 GHAEMO Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3cc(Br)cs3)CC2)no1 ZINC000370224815 923971298 /nfs/dbraw/zinc/97/12/98/923971298.db2.gz MVQMHPJUUSXYSI-AWEZNQCLSA-N 1 1 399.358 3.689 10 0 GHAEMO COc1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)ccc1F ZINC000011753564 204352233 /nfs/dbraw/zinc/35/22/33/204352233.db2.gz RTADALHMOWRTEA-OAQYLSRUSA-N 1 1 379.422 3.930 10 0 GHAEMO CCOc1ccc2nc(C[N@H+]3CCC[C@H](CNC(=O)c4ccco4)C3)ccc2c1 ZINC000011873755 204358767 /nfs/dbraw/zinc/35/87/67/204358767.db2.gz ZBWMRUCENVOCQR-QGZVFWFLSA-N 1 1 393.487 3.869 10 0 GHAEMO CC(C)Cc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)[C@H](C)c3ccncn3)cc2)n1 ZINC000023505452 519425879 /nfs/dbraw/zinc/42/58/79/519425879.db2.gz APBASJGSZVCKOT-MRXNPFEDSA-N 1 1 377.492 3.618 10 0 GHAEMO CC(C)Cc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)[C@H](C)c3ccncn3)cc2)n1 ZINC000023505452 519425894 /nfs/dbraw/zinc/42/58/94/519425894.db2.gz APBASJGSZVCKOT-MRXNPFEDSA-N 1 1 377.492 3.618 10 0 GHAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000329613648 835391019 /nfs/dbraw/zinc/39/10/19/835391019.db2.gz CTVIUHSWDSUGBN-HRAATJIYSA-N 1 1 395.478 3.777 10 0 GHAEMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cnn(C)c3)cc2)C1 ZINC000245877384 844085698 /nfs/dbraw/zinc/08/56/98/844085698.db2.gz YXVIVCFUFFUPGN-GCJKJVERSA-N 1 1 395.551 3.699 10 0 GHAEMO C[C@@H]1CCc2[nH]c3ccc(-c4nc([C@H]5C[N@H+]6CCC[C@@H]6CO5)no4)cc3c2C1 ZINC000329726045 835791791 /nfs/dbraw/zinc/79/17/91/835791791.db2.gz OHZGMZXTPBGOIS-WAWZGNHOSA-N 1 1 378.476 3.878 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000247771847 844226795 /nfs/dbraw/zinc/22/67/95/844226795.db2.gz PIOXZRQZDOWNLD-ZHRRBRCNSA-N 1 1 394.563 3.930 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000247771847 844226799 /nfs/dbraw/zinc/22/67/99/844226799.db2.gz PIOXZRQZDOWNLD-ZHRRBRCNSA-N 1 1 394.563 3.930 10 0 GHAEMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000332708091 844541217 /nfs/dbraw/zinc/54/12/17/844541217.db2.gz XDWKZFPYOIUWEP-LNGHQEKWSA-N 1 1 388.596 3.721 10 0 GHAEMO CCn1cc(C2CCN(C(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)CC2)cn1 ZINC000332871690 844616534 /nfs/dbraw/zinc/61/65/34/844616534.db2.gz RSQMITBJZZQUTI-GCJKJVERSA-N 1 1 395.551 3.628 10 0 GHAEMO C[C@@H](Sc1ccc(F)c(F)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000105678352 841755771 /nfs/dbraw/zinc/75/57/71/841755771.db2.gz VEGCBTQWSGRKOV-ZBFHGGJFSA-N 1 1 376.472 3.836 10 0 GHAEMO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)c12 ZINC000247505295 842715486 /nfs/dbraw/zinc/71/54/86/842715486.db2.gz VJAGUJYOARLFFU-DYVFJYSZSA-N 1 1 394.450 3.646 10 0 GHAEMO Cc1cccnc1/C=C\C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000588453441 843323164 /nfs/dbraw/zinc/32/31/64/843323164.db2.gz XYBCRZWOCAQPSY-QJRAZLAKSA-N 1 1 387.487 3.685 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)CCCc3csc4ccccc34)C2)CC1 ZINC000150982133 845092912 /nfs/dbraw/zinc/09/29/12/845092912.db2.gz NPSATTFQNJPZLW-HXUWFJFHSA-N 1 1 399.604 3.853 10 0 GHAEMO Cc1cccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1Br ZINC000152571407 847337275 /nfs/dbraw/zinc/33/72/75/847337275.db2.gz GZEMGHDLLFSNBM-UHFFFAOYSA-N 1 1 376.298 3.586 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000153263866 848332169 /nfs/dbraw/zinc/33/21/69/848332169.db2.gz RGTSJHHQNZSIGR-UZLBHIALSA-N 1 1 384.499 3.666 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000156370585 849889488 /nfs/dbraw/zinc/88/94/88/849889488.db2.gz CXBYNAYCRJCNJJ-UHFFFAOYSA-N 1 1 377.286 3.669 10 0 GHAEMO Cc1cc([C@@H]2CCCN(c3ccnc(N[C@H]4CCCO[C@@H]4C(C)C)n3)C2)[nH]n1 ZINC000328786068 854555917 /nfs/dbraw/zinc/55/59/17/854555917.db2.gz JACWGZKUGFRMLY-FUHIMQAGSA-N 1 1 384.528 3.508 10 0 GHAEMO Cc1cc([C@@H]2CCCN(c3cc[nH+]c(N[C@H]4CCCO[C@@H]4C(C)C)n3)C2)n[nH]1 ZINC000328786068 854555925 /nfs/dbraw/zinc/55/59/25/854555925.db2.gz JACWGZKUGFRMLY-FUHIMQAGSA-N 1 1 384.528 3.508 10 0 GHAEMO Cc1noc(C)c1[C@H](C)CC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000157783339 854877517 /nfs/dbraw/zinc/87/75/17/854877517.db2.gz DDGOHMPLARCRIA-ZACQAIPSSA-N 1 1 391.556 3.523 10 0 GHAEMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000246976953 855351084 /nfs/dbraw/zinc/35/10/84/855351084.db2.gz OUBDBSPZDPBIDX-YWZLYKJASA-N 1 1 389.496 3.515 10 0 GHAEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000246976953 855351094 /nfs/dbraw/zinc/35/10/94/855351094.db2.gz OUBDBSPZDPBIDX-YWZLYKJASA-N 1 1 389.496 3.515 10 0 GHAEMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000102958891 860920669 /nfs/dbraw/zinc/92/06/69/860920669.db2.gz NTEFQLISFSVLRM-PKOBYXMFSA-N 1 1 387.524 3.774 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000172492266 882289471 /nfs/dbraw/zinc/28/94/71/882289471.db2.gz MDKCLDUMKGCCJS-XLIONFOSSA-N 1 1 376.504 3.553 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3cccc(Oc4ccccn4)c3)CC2)CCO1 ZINC000174510647 882473984 /nfs/dbraw/zinc/47/39/84/882473984.db2.gz SBJVWGSRMQBQAY-QGZVFWFLSA-N 1 1 396.491 3.591 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000116248324 873368231 /nfs/dbraw/zinc/36/82/31/873368231.db2.gz WCZVMRNPWOOUDB-BEFAXECRSA-N 1 1 391.437 3.670 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1nc2ccccc2s1 ZINC000116411951 873504314 /nfs/dbraw/zinc/50/43/14/873504314.db2.gz KLDDFRJUZPVHMK-HOCLYGCPSA-N 1 1 381.505 3.723 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1N1CCCC1 ZINC000116478338 873513537 /nfs/dbraw/zinc/51/35/37/873513537.db2.gz CKEGPEJMLGBRDQ-QUCCMNQESA-N 1 1 393.535 3.714 10 0 GHAEMO Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)c2c1 ZINC000176796093 882733367 /nfs/dbraw/zinc/73/33/67/882733367.db2.gz RCVCWSGPCAHZPL-QGZVFWFLSA-N 1 1 393.531 3.746 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3cc(Br)ccc3F)CC2)[nH+]1 ZINC000116670174 873614265 /nfs/dbraw/zinc/61/42/65/873614265.db2.gz GATPNDVAOBULJF-UHFFFAOYSA-N 1 1 392.272 3.690 10 0 GHAEMO CCn1cc(CC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c2ccccc21 ZINC000116669856 873614820 /nfs/dbraw/zinc/61/48/20/873614820.db2.gz UYTUZHULLBVUCO-UHFFFAOYSA-N 1 1 376.504 3.692 10 0 GHAEMO COc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(OC(F)F)c1 ZINC000179752759 883024532 /nfs/dbraw/zinc/02/45/32/883024532.db2.gz GXIMGPRFGONPJZ-UHFFFAOYSA-N 1 1 396.478 3.911 10 0 GHAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000180826636 883101581 /nfs/dbraw/zinc/10/15/81/883101581.db2.gz FZEMNHPNIMFEKL-CHWSQXEVSA-N 1 1 389.849 3.856 10 0 GHAEMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCCN(c3ccccn3)CC2)c(C)c1 ZINC000183812751 883304068 /nfs/dbraw/zinc/30/40/68/883304068.db2.gz QDQAAUAYNFPLJG-UHFFFAOYSA-N 1 1 380.536 3.938 10 0 GHAEMO O=C(CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccc(F)cc1F ZINC000186634486 883678865 /nfs/dbraw/zinc/67/88/65/883678865.db2.gz RIJNVJDHELOFBS-HNNXBMFYSA-N 1 1 388.462 3.735 10 0 GHAEMO Fc1ccc(CN2CCC[C@@H]([NH2+][C@H](c3ncc[nH]3)c3ccncc3)C2)c(Cl)c1 ZINC000189120249 883921454 /nfs/dbraw/zinc/92/14/54/883921454.db2.gz NPWVXEJSRWKJCB-QUCCMNQESA-N 1 1 399.901 3.941 10 0 GHAEMO NC(=O)[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccc(Br)cc1 ZINC000105401796 884753251 /nfs/dbraw/zinc/75/32/51/884753251.db2.gz ZWIHHGMJYKNJES-JKSUJKDBSA-N 1 1 379.685 3.906 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2nn(CC(C)C)cc2C(F)F)C1 ZINC000119952556 886491179 /nfs/dbraw/zinc/49/11/79/886491179.db2.gz GBTHWFQQWXPFTN-CQSZACIVSA-N 1 1 379.455 3.713 10 0 GHAEMO Cc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1C(F)(F)F ZINC000124512270 886759687 /nfs/dbraw/zinc/75/96/87/886759687.db2.gz RDPLNCJTDXGGFL-AWEZNQCLSA-N 1 1 385.430 3.731 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CC2)[nH+]c1 ZINC000124802776 886800145 /nfs/dbraw/zinc/80/01/45/886800145.db2.gz WFEIOAKUGQVCMM-SFTDATJTSA-N 1 1 394.519 3.578 10 0 GHAEMO CCCn1ccc2ccc(NC(=O)N3CCCC[C@@H](N4CC[NH+](C)CC4)C3)cc21 ZINC000126457918 886970317 /nfs/dbraw/zinc/97/03/17/886970317.db2.gz UKHNWOQCQRVUGX-OAQYLSRUSA-N 1 1 397.567 3.685 10 0 GHAEMO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000126588577 886982443 /nfs/dbraw/zinc/98/24/43/886982443.db2.gz FPAVMEMCHPMXCZ-QGZVFWFLSA-N 1 1 398.473 3.648 10 0 GHAEMO CSc1ccc(NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1Cl ZINC000126601128 886988493 /nfs/dbraw/zinc/98/84/93/886988493.db2.gz YCNLNDKOSAVXOY-INIZCTEOSA-N 1 1 396.988 3.696 10 0 GHAEMO CN(C)c1nc(-c2ccccc2)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)s1 ZINC000246206544 890703768 /nfs/dbraw/zinc/70/37/68/890703768.db2.gz MESLCQJNOVOSIE-WBVHZDCISA-N 1 1 375.563 3.582 10 0 GHAEMO Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000246240593 890811371 /nfs/dbraw/zinc/81/13/71/890811371.db2.gz ZXGULEAHCSZAIU-CRAIPNDOSA-N 1 1 386.565 3.685 10 0 GHAEMO CCC(CC)c1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000246402351 891229263 /nfs/dbraw/zinc/22/92/63/891229263.db2.gz RPVAKIHJTJMSBD-OXQOHEQNSA-N 1 1 399.539 3.683 10 0 GHAEMO C[C@H](O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000246517891 891282940 /nfs/dbraw/zinc/28/29/40/891282940.db2.gz OJFUIMFOBGNTBE-NPPFBWRTSA-N 1 1 381.520 3.592 10 0 GHAEMO C[C@H](CCc1cccc(F)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247044280 891338188 /nfs/dbraw/zinc/33/81/88/891338188.db2.gz YDMKMMNRHRHNIY-HMFYCAOWSA-N 1 1 383.511 3.816 10 0 GHAEMO CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000247041031 891338704 /nfs/dbraw/zinc/33/87/04/891338704.db2.gz NYIXLWBIMPVLGO-APWZRJJASA-N 1 1 398.507 3.521 10 0 GHAEMO CC(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000247068739 891342182 /nfs/dbraw/zinc/34/21/82/891342182.db2.gz UQYNJQQRIAPJFZ-SKOHIPDXSA-N 1 1 383.536 3.771 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000247137926 891348587 /nfs/dbraw/zinc/34/85/87/891348587.db2.gz HPNQAPFSDCGBMV-HGSOSGBHSA-N 1 1 393.531 3.576 10 0 GHAEMO C[C@@H](CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccccc1C(F)(F)F ZINC000247160317 891349996 /nfs/dbraw/zinc/34/99/96/891349996.db2.gz ALKNCHRNNXXXST-JKSUJKDBSA-N 1 1 398.469 3.911 10 0 GHAEMO COc1ccc(SCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247152692 891350191 /nfs/dbraw/zinc/35/01/91/891350191.db2.gz IMSYVRWXJZKMKK-DYESRHJHSA-N 1 1 399.560 3.599 10 0 GHAEMO CN(C)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C(F)(F)F)c1 ZINC000247981227 891404108 /nfs/dbraw/zinc/40/41/08/891404108.db2.gz IITHSYOUBIUBQJ-CXAGYDPISA-N 1 1 384.446 3.719 10 0 GHAEMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248144000 891412824 /nfs/dbraw/zinc/41/28/24/891412824.db2.gz ZCGSVSVYUKKMEV-CTNGQTDRSA-N 1 1 392.503 3.910 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(-c4ccncc4)nc4ccccc43)CC[C@H]21 ZINC000248169569 891414268 /nfs/dbraw/zinc/41/42/68/891414268.db2.gz UMKQZTXTZJCBIJ-FDDCHVKYSA-N 1 1 386.499 3.853 10 0 GHAEMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248946911 891483531 /nfs/dbraw/zinc/48/35/31/891483531.db2.gz ZJZBYJQZIFHTQN-IFMALSPDSA-N 1 1 397.519 3.668 10 0 GHAEMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248946911 891483539 /nfs/dbraw/zinc/48/35/39/891483539.db2.gz ZJZBYJQZIFHTQN-IFMALSPDSA-N 1 1 397.519 3.668 10 0 GHAEMO CSCc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000249168873 891499924 /nfs/dbraw/zinc/49/99/24/891499924.db2.gz AHOQYPSHRZEGQR-LAUBAEHRSA-N 1 1 398.576 3.654 10 0 GHAEMO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333348987 902027390 /nfs/dbraw/zinc/02/73/90/902027390.db2.gz JHAUVLJHBUBSRY-VQTJNVASSA-N 1 1 392.503 3.574 10 0 GHAEMO CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CC[NH2+]C[C@@H]3c3cccnc3)sc2C1 ZINC000333370533 902043424 /nfs/dbraw/zinc/04/34/24/902043424.db2.gz UZKPAWJAPJSVCD-DOTOQJQBSA-N 1 1 399.564 3.868 10 0 GHAEMO COc1cc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)ccc1F ZINC000011753565 204351900 /nfs/dbraw/zinc/35/19/00/204351900.db2.gz RTADALHMOWRTEA-NRFANRHFSA-N 1 1 379.422 3.930 10 0 GHAEMO [NH3+]CCc1nc2ccccc2c(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1 ZINC000067689162 136164810 /nfs/dbraw/zinc/16/48/10/136164810.db2.gz DVRADTTZNGDTSB-UHFFFAOYSA-N 1 1 390.466 3.530 10 0 GHAEMO OCC[NH2+]CCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013732899 570783760 /nfs/dbraw/zinc/78/37/60/570783760.db2.gz UOJQMLXCFOYECR-UHFFFAOYSA-N 1 1 383.319 3.634 10 0 GHAEMO Cc1nc(C(F)(F)F)c(C[N@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)s1 ZINC000170595221 570852571 /nfs/dbraw/zinc/85/25/71/570852571.db2.gz QDVYWYYYYYESDA-UHFFFAOYSA-N 1 1 399.486 3.978 10 0 GHAEMO CC(C)CC(=O)Nc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000156842929 834598051 /nfs/dbraw/zinc/59/80/51/834598051.db2.gz UZSUPGPHNASVLD-UHFFFAOYSA-N 1 1 397.523 3.891 10 0 GHAEMO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000329620626 835449897 /nfs/dbraw/zinc/44/98/97/835449897.db2.gz FLWONLOSFCWDDE-NVXWUHKLSA-N 1 1 381.524 3.588 10 0 GHAEMO Cc1cc([C@@H]2CCCN(C(=O)[C@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)C2)[nH]n1 ZINC000328707918 839065477 /nfs/dbraw/zinc/06/54/77/839065477.db2.gz ZSDBZYICRLGATM-LGVFNWMJSA-N 1 1 392.547 3.726 10 0 GHAEMO Cc1cc([C@@H]2CCCN(C(=O)[C@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)C2)n[nH]1 ZINC000328707918 839065486 /nfs/dbraw/zinc/06/54/86/839065486.db2.gz ZSDBZYICRLGATM-LGVFNWMJSA-N 1 1 392.547 3.726 10 0 GHAEMO Cc1cc([C@@H]2CCCN(C(=O)[C@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)C2)n[nH]1 ZINC000328707918 839065490 /nfs/dbraw/zinc/06/54/90/839065490.db2.gz ZSDBZYICRLGATM-LGVFNWMJSA-N 1 1 392.547 3.726 10 0 GHAEMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)/C(C)=C\c3ccc(F)cc3)cc2)CC1 ZINC000588390552 840300811 /nfs/dbraw/zinc/30/08/11/840300811.db2.gz DOLXTORDCFPSRJ-ICFOKQHNSA-N 1 1 395.478 3.532 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000106209756 840765870 /nfs/dbraw/zinc/76/58/70/840765870.db2.gz PIOXZRQZDOWNLD-AOMKIAJQSA-N 1 1 394.563 3.930 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000106209756 840765883 /nfs/dbraw/zinc/76/58/83/840765883.db2.gz PIOXZRQZDOWNLD-AOMKIAJQSA-N 1 1 394.563 3.930 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)CCCOc2ccccc2Cl)CC1 ZINC000162715365 842855046 /nfs/dbraw/zinc/85/50/46/842855046.db2.gz CUYGZNVHDKCIPZ-UHFFFAOYSA-N 1 1 375.900 3.714 10 0 GHAEMO Cc1ccc(-c2nc(C)c(C(=O)N3CCC(Cc4[nH+]ccn4C)CC3)s2)o1 ZINC000162592420 843281022 /nfs/dbraw/zinc/28/10/22/843281022.db2.gz ABVHZSRKOZUGIN-UHFFFAOYSA-N 1 1 384.505 3.848 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[C@H]2CN(C(C)=O)c3ccccc32)C1 ZINC000329625128 861813949 /nfs/dbraw/zinc/81/39/49/861813949.db2.gz OLPHAHLTOHIESH-RBUKOAKNSA-N 1 1 394.519 3.540 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)CCCc3csc4ccccc34)CC2)CCO1 ZINC000153329641 848371400 /nfs/dbraw/zinc/37/14/00/848371400.db2.gz WQQKYRKOEIWOGH-QGZVFWFLSA-N 1 1 386.561 3.936 10 0 GHAEMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000102343034 854341050 /nfs/dbraw/zinc/34/10/50/854341050.db2.gz AEMTWJRCKDNXHT-HNNXBMFYSA-N 1 1 381.358 3.963 10 0 GHAEMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)C1 ZINC000328607694 854481741 /nfs/dbraw/zinc/48/17/41/854481741.db2.gz LLEPXPKOLQQSOS-FGSXEWAUSA-N 1 1 380.492 3.609 10 0 GHAEMO O=C1CC[C@H]([NH2+]Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C2(CCC2)N1 ZINC000328705086 854516465 /nfs/dbraw/zinc/51/64/65/854516465.db2.gz PDAXXGVFPZFOQR-ZDUSSCGKSA-N 1 1 380.370 3.887 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc[nH+]c(N[C@@H]2CCCO[C@@H]2C(C)C)n1 ZINC000330126403 862596948 /nfs/dbraw/zinc/59/69/48/862596948.db2.gz IRVNQQQUESZVHC-LVCYWYKZSA-N 1 1 398.555 3.784 10 0 GHAEMO CCn1cc(C2CCN(c3cc[nH+]c(N[C@@H]4CCCO[C@H]4C(C)C)n3)CC2)cn1 ZINC000330120225 862591368 /nfs/dbraw/zinc/59/13/68/862591368.db2.gz GFFGJXGIHOFYLA-CTNGQTDRSA-N 1 1 398.555 3.693 10 0 GHAEMO O=C(CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)N1CCc2sccc2C1 ZINC000102929297 860904204 /nfs/dbraw/zinc/90/42/04/860904204.db2.gz BYWQEHSUCZYVEZ-KRWDZBQOSA-N 1 1 384.501 3.589 10 0 GHAEMO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)CC2)C1 ZINC000329195077 861125573 /nfs/dbraw/zinc/12/55/73/861125573.db2.gz UAJRMZULBOTVBE-NMLACTOBSA-N 1 1 388.556 3.800 10 0 GHAEMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccccc1 ZINC000104052086 864167661 /nfs/dbraw/zinc/16/76/61/864167661.db2.gz CANNMHZUEQZQHY-LJQANCHMSA-N 1 1 375.476 3.981 10 0 GHAEMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccccc1 ZINC000104052086 864167668 /nfs/dbraw/zinc/16/76/68/864167668.db2.gz CANNMHZUEQZQHY-LJQANCHMSA-N 1 1 375.476 3.981 10 0 GHAEMO O=C(C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)NC1CCCCC1 ZINC000102401015 865117341 /nfs/dbraw/zinc/11/73/41/865117341.db2.gz JIWOIGHOQZCZSH-INIZCTEOSA-N 1 1 386.471 3.504 10 0 GHAEMO O=C(C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)NC1CCCCC1 ZINC000102401015 865117344 /nfs/dbraw/zinc/11/73/44/865117344.db2.gz JIWOIGHOQZCZSH-INIZCTEOSA-N 1 1 386.471 3.504 10 0 GHAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000113224280 866753468 /nfs/dbraw/zinc/75/34/68/866753468.db2.gz JIBUGYYYJSTVJW-GOEBONIOSA-N 1 1 396.535 3.998 10 0 GHAEMO C[C@H](CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1C(F)(F)F ZINC000172913512 882323312 /nfs/dbraw/zinc/32/33/12/882323312.db2.gz ALKNCHRNNXXXST-CVEARBPZSA-N 1 1 398.469 3.911 10 0 GHAEMO COCCOc1cc(C)ccc1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000175300296 882565832 /nfs/dbraw/zinc/56/58/32/882565832.db2.gz IILLBPLMBMHYMT-UHFFFAOYSA-N 1 1 398.507 3.514 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)[nH]c21 ZINC000175965138 882651026 /nfs/dbraw/zinc/65/10/26/882651026.db2.gz BQVGIOCUEWNANT-LJQANCHMSA-N 1 1 382.552 3.774 10 0 GHAEMO COc1ccc(Cl)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000116492631 873517228 /nfs/dbraw/zinc/51/72/28/873517228.db2.gz IPEQVCYNTDAHGR-KDOFPFPSSA-N 1 1 388.899 3.776 10 0 GHAEMO COc1ccccc1C[C@H](C)CC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116670396 873614701 /nfs/dbraw/zinc/61/47/01/873614701.db2.gz KMGMQZGYTPHFNC-KRWDZBQOSA-N 1 1 381.520 3.753 10 0 GHAEMO Cc1cccc2[nH]c(CCC(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc21 ZINC000177656406 882840297 /nfs/dbraw/zinc/84/02/97/882840297.db2.gz IAXAONCGAWOTGJ-HXUWFJFHSA-N 1 1 390.531 3.784 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c21 ZINC000177656406 882840314 /nfs/dbraw/zinc/84/03/14/882840314.db2.gz IAXAONCGAWOTGJ-HXUWFJFHSA-N 1 1 390.531 3.784 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c21 ZINC000177656406 882840320 /nfs/dbraw/zinc/84/03/20/882840320.db2.gz IAXAONCGAWOTGJ-HXUWFJFHSA-N 1 1 390.531 3.784 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000121254642 876690753 /nfs/dbraw/zinc/69/07/53/876690753.db2.gz DOZVVZNQGGYSRN-UHFFFAOYSA-N 1 1 397.548 3.865 10 0 GHAEMO CSc1ccc(Cl)cc1NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000180320149 883075274 /nfs/dbraw/zinc/07/52/74/883075274.db2.gz UHPJZDOXDQPNQK-MRXNPFEDSA-N 1 1 396.988 3.696 10 0 GHAEMO Cc1cc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)nn1-c1ccccc1Cl ZINC000180768901 883098078 /nfs/dbraw/zinc/09/80/78/883098078.db2.gz HQFPJZOLOLXEBG-UHFFFAOYSA-N 1 1 397.910 3.663 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 ZINC000121950987 878065178 /nfs/dbraw/zinc/06/51/78/878065178.db2.gz KEPUDQRVRAMGRF-UHFFFAOYSA-N 1 1 376.460 3.702 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000122027055 878230813 /nfs/dbraw/zinc/23/08/13/878230813.db2.gz DNSYADVPMPWCAQ-UHFFFAOYSA-N 1 1 390.896 3.885 10 0 GHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2nc3ccc(OC)cc3s2)C1 ZINC000132626369 878786548 /nfs/dbraw/zinc/78/65/48/878786548.db2.gz SAWKSMLHUNRQFM-ZDUSSCGKSA-N 1 1 385.493 3.933 10 0 GHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000133299417 878908383 /nfs/dbraw/zinc/90/83/83/878908383.db2.gz HQQJJVHEQUNUOR-IBGZPJMESA-N 1 1 395.507 3.551 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)CC2)[nH+]c1 ZINC000183587927 883290564 /nfs/dbraw/zinc/29/05/64/883290564.db2.gz FPZUQYWOLGQTRV-YLJYHZDGSA-N 1 1 379.508 3.547 10 0 GHAEMO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc3ccccc3n2C)c2ccc(F)cc2C1 ZINC000184513630 883349780 /nfs/dbraw/zinc/34/97/80/883349780.db2.gz LBPANQWHYVOCHD-IFXJQAMLSA-N 1 1 380.467 3.857 10 0 GHAEMO C[N@@H+](CCC(=O)c1ccc(F)cc1F)C1CCN(CCc2ccccn2)CC1 ZINC000187133924 883748665 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C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000245811006 889769023 /nfs/dbraw/zinc/76/90/23/889769023.db2.gz QWYWWVYIKXDVJH-YVEFUNNKSA-N 1 1 393.318 3.611 10 0 GHAEMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000245951423 890063770 /nfs/dbraw/zinc/06/37/70/890063770.db2.gz VQGPGBFEZGMOPP-PKOBYXMFSA-N 1 1 385.533 3.589 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000246117029 890403704 /nfs/dbraw/zinc/40/37/04/890403704.db2.gz RGCKNMYPWSQMIF-WZONZLPQSA-N 1 1 386.499 3.784 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3cccc(SC(F)F)c3)CC2)CCO1 ZINC000067356804 891148504 /nfs/dbraw/zinc/14/85/04/891148504.db2.gz GLXDVHYRXWFOBE-ZDUSSCGKSA-N 1 1 385.480 3.718 10 0 GHAEMO Cc1nc(C[NH+]2CCC(C(=O)N3CC=C(c4ccccc4)CC3)CC2)cs1 ZINC000068229063 891172453 /nfs/dbraw/zinc/17/24/53/891172453.db2.gz YBNLIVLPZCZEOD-UHFFFAOYSA-N 1 1 381.545 3.979 10 0 GHAEMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@@H](c3nccs3)C2)C1 ZINC000246697149 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Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000012752389 204441776 /nfs/dbraw/zinc/44/17/76/204441776.db2.gz IUXYBJIIJUGMLW-QGZVFWFLSA-N 1 1 383.517 3.681 10 0 GHAEMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)N3CCOCC3)co2)[C@H](C)C(C)C)c(C)c1 ZINC000036065628 205003824 /nfs/dbraw/zinc/00/38/24/205003824.db2.gz SXUBRZUTKFDEKX-LJQANCHMSA-N 1 1 399.535 3.811 10 0 GHAEMO Cc1ccc(C[N@H+](Cc2nc(C(=O)N3CCOCC3)co2)[C@H](C)C(C)C)c(C)c1 ZINC000036065628 205003829 /nfs/dbraw/zinc/00/38/29/205003829.db2.gz SXUBRZUTKFDEKX-LJQANCHMSA-N 1 1 399.535 3.811 10 0 GHAEMO OCCOc1ccccc1C[N@@H+]1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000043103191 205081357 /nfs/dbraw/zinc/08/13/57/205081357.db2.gz BNRCBPFAURSOLJ-UHFFFAOYSA-N 1 1 383.879 3.660 10 0 GHAEMO OCCOc1ccccc1C[N@H+]1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000043103191 205081361 /nfs/dbraw/zinc/08/13/61/205081361.db2.gz BNRCBPFAURSOLJ-UHFFFAOYSA-N 1 1 383.879 3.660 10 0 GHAEMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2=O)c1 ZINC000012612374 570690592 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1 375.472 3.844 10 0 GHAEMO CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](C3CCOCC3)C2)cc1 ZINC000004237320 560197736 /nfs/dbraw/zinc/19/77/36/560197736.db2.gz NLOJVURPBHZBSN-FUHWJXTLSA-N 1 1 396.556 3.835 10 0 biogenic GHAEMO CC(C)(C)[N@H+]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1 ZINC000020467923 570489830 /nfs/dbraw/zinc/48/98/30/570489830.db2.gz PSXXQYLLIFTFCZ-RTBURBONSA-N 1 1 391.906 3.864 10 0 GHAEMO O=C(c1noc2c1CCCC2)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000014974208 570867823 /nfs/dbraw/zinc/86/78/23/570867823.db2.gz OOWDXCUJDBVZRH-HSZRJFAPSA-N 1 1 397.494 3.821 10 0 GHAEMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000157138326 834768544 /nfs/dbraw/zinc/76/85/44/834768544.db2.gz RUUUMEPUWODMOD-UHFFFAOYSA-N 1 1 397.523 3.810 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3sccc3Br)CC2)[nH+]c1 ZINC000157823457 835111957 /nfs/dbraw/zinc/11/19/57/835111957.db2.gz ALDKTNQGOFDRDQ-UHFFFAOYSA-N 1 1 380.311 3.613 10 0 GHAEMO CN(C)c1ccc(Cl)cc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000158117522 835232961 /nfs/dbraw/zinc/23/29/61/835232961.db2.gz YWPOCMIBNVIZHL-UHFFFAOYSA-N 1 1 375.904 3.626 10 0 GHAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000329651163 835529506 /nfs/dbraw/zinc/52/95/06/835529506.db2.gz KTNWRPIAIZFZMY-DOTOQJQBSA-N 1 1 394.475 3.501 10 0 GHAEMO COc1cccc2c1CC[N@H+](CC(=O)N1c3ccccc3NC(=O)C1(C)C)CC2 ZINC000330202472 839167717 /nfs/dbraw/zinc/16/77/17/839167717.db2.gz ZIRDUHZJOBFYDJ-UHFFFAOYSA-N 1 1 393.487 3.509 10 0 GHAEMO COc1cccc2c1CC[N@@H+](CC(=O)N1c3ccccc3NC(=O)C1(C)C)CC2 ZINC000330202472 839167724 /nfs/dbraw/zinc/16/77/24/839167724.db2.gz ZIRDUHZJOBFYDJ-UHFFFAOYSA-N 1 1 393.487 3.509 10 0 GHAEMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000328756499 840404730 /nfs/dbraw/zinc/40/47/30/840404730.db2.gz UGDLVQMTQNLMFW-DZUCGIPZSA-N 1 1 381.476 3.843 10 0 GHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C2)c1 ZINC000106220174 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396.354 3.658 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)CCCc2nc3ccccc3s2)CC1 ZINC000162394892 843239085 /nfs/dbraw/zinc/23/90/85/843239085.db2.gz YNYKPBJPGFYBGP-UHFFFAOYSA-N 1 1 382.533 3.834 10 0 GHAEMO CCCCOc1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1OC ZINC000162404296 843248664 /nfs/dbraw/zinc/24/86/64/843248664.db2.gz PEDYBLFOCQWHMV-UHFFFAOYSA-N 1 1 385.508 3.703 10 0 GHAEMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000152274117 846524869 /nfs/dbraw/zinc/52/48/69/846524869.db2.gz DQVYORRISSBTKJ-INIZCTEOSA-N 1 1 393.491 3.871 10 0 GHAEMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000152274117 846524881 /nfs/dbraw/zinc/52/48/81/846524881.db2.gz DQVYORRISSBTKJ-INIZCTEOSA-N 1 1 393.491 3.871 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CSc3nccc4ccccc43)CC2)[nH+]1 ZINC000152338088 846702925 /nfs/dbraw/zinc/70/29/25/846702925.db2.gz LFOPANYUJCQEQS-UHFFFAOYSA-N 1 1 392.528 3.816 10 0 GHAEMO Cc1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)ccc1Br ZINC000329615606 861779106 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3.522 10 0 GHAEMO CC(C)c1ccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000172125448 860431955 /nfs/dbraw/zinc/43/19/55/860431955.db2.gz DGVVQSKAYXJZDR-SFHVURJKSA-N 1 1 383.540 3.522 10 0 GHAEMO O=C(CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)N1CCc2sccc2C1 ZINC000102929300 860903835 /nfs/dbraw/zinc/90/38/35/860903835.db2.gz BYWQEHSUCZYVEZ-QGZVFWFLSA-N 1 1 384.501 3.589 10 0 GHAEMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912674 881606641 /nfs/dbraw/zinc/60/66/41/881606641.db2.gz UBNRQSGVLVQCRS-LSDHHAIUSA-N 1 1 375.538 3.771 10 0 GHAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912674 881606643 /nfs/dbraw/zinc/60/66/43/881606643.db2.gz UBNRQSGVLVQCRS-LSDHHAIUSA-N 1 1 375.538 3.771 10 0 GHAEMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000104709518 864553122 /nfs/dbraw/zinc/55/31/22/864553122.db2.gz PXCGXHAZZZJABU-CQSZACIVSA-N 1 1 391.309 3.959 10 0 GHAEMO O[C@@]12CCCC[C@H]1C[N@H+](Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000248217890 864963173 /nfs/dbraw/zinc/96/31/73/864963173.db2.gz ZZVFBINMDGZEFI-MEDUHNTESA-N 1 1 398.326 3.688 10 0 GHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000248217890 864963180 /nfs/dbraw/zinc/96/31/80/864963180.db2.gz ZZVFBINMDGZEFI-MEDUHNTESA-N 1 1 398.326 3.688 10 0 GHAEMO C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000173456954 865652587 /nfs/dbraw/zinc/65/25/87/865652587.db2.gz MUMSSQOAFSDJLX-GOSISDBHSA-N 1 1 381.524 3.593 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)CC2)[nH+]1 ZINC000172132033 882171668 /nfs/dbraw/zinc/17/16/68/882171668.db2.gz CEHBAYJTWWLSRN-IFMALSPDSA-N 1 1 394.519 3.578 10 0 GHAEMO CSc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000172179788 882175885 /nfs/dbraw/zinc/17/58/85/882175885.db2.gz GISIRZCLUHCKSM-JXFKEZNVSA-N 1 1 384.549 3.513 10 0 GHAEMO Cc1c2cc(F)ccc2sc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000173282080 882346313 /nfs/dbraw/zinc/34/63/13/882346313.db2.gz XNALWWJNRRWRIO-QGZVFWFLSA-N 1 1 389.540 3.591 10 0 GHAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1nnc(-c3ccccc3Br)o1)CC2 ZINC000247972021 870250689 /nfs/dbraw/zinc/25/06/89/870250689.db2.gz JRTMVFHEIYXVPR-UGSOOPFHSA-N 1 1 392.297 3.626 10 0 GHAEMO CCCOc1c(Cl)cc(C[NH+]2CCC(n3cncn3)CC2)cc1OCC ZINC000092648105 882410501 /nfs/dbraw/zinc/41/05/01/882410501.db2.gz CDQDWDVXKLEZSP-UHFFFAOYSA-N 1 1 378.904 3.956 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccccc3OC(C)(C)C)CC2)CCO1 ZINC000115777375 873162012 /nfs/dbraw/zinc/16/20/12/873162012.db2.gz SMZHTSVSADTJDL-MRXNPFEDSA-N 1 1 375.513 3.581 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000116248327 873367824 /nfs/dbraw/zinc/36/78/24/873367824.db2.gz WCZVMRNPWOOUDB-KXBFYZLASA-N 1 1 391.437 3.670 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000116569806 873567592 /nfs/dbraw/zinc/56/75/92/873567592.db2.gz IMFUNHJWLBXHPY-JTSKRJEESA-N 1 1 396.510 3.805 10 0 GHAEMO Cc1noc2nc(C3CC3)cc(C(=O)NC3CCN(c4cccc(C)[nH+]4)CC3)c12 ZINC000116669429 873614501 /nfs/dbraw/zinc/61/45/01/873614501.db2.gz OQURRXCYXJXOFH-UHFFFAOYSA-N 1 1 391.475 3.511 10 0 GHAEMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000178793494 882919107 /nfs/dbraw/zinc/91/91/07/882919107.db2.gz WJVNNYZQJDHPJO-UHFFFAOYSA-N 1 1 392.507 3.709 10 0 GHAEMO Cc1ccc(N2CCC(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)CC2)[nH+]c1 ZINC000182492976 883222561 /nfs/dbraw/zinc/22/25/61/883222561.db2.gz DLJVCTDXHNYVSP-TZIWHRDSSA-N 1 1 399.922 3.906 10 0 GHAEMO COc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000186831894 883709444 /nfs/dbraw/zinc/70/94/44/883709444.db2.gz LZSCWOPXSTWBDY-YJBOKZPZSA-N 1 1 386.471 3.570 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000188802850 883879703 /nfs/dbraw/zinc/87/97/03/883879703.db2.gz GKCHMXHNKMVLJG-KNQAVFIVSA-N 1 1 392.547 3.665 10 0 GHAEMO Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190842822 884115786 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10 0 GHAEMO O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103180685 884821558 /nfs/dbraw/zinc/82/15/58/884821558.db2.gz RMYJGXSQOKWSSX-NRFANRHFSA-N 1 1 392.528 3.590 10 0 GHAEMO Clc1nc2ccccc2cc1C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106151224 886026824 /nfs/dbraw/zinc/02/68/24/886026824.db2.gz AIKCESZGGSSOQT-UHFFFAOYSA-N 1 1 397.910 3.857 10 0 GHAEMO Clc1nc2ccccc2cc1C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106151224 886026839 /nfs/dbraw/zinc/02/68/39/886026839.db2.gz AIKCESZGGSSOQT-UHFFFAOYSA-N 1 1 397.910 3.857 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1sccc1Br ZINC000116249757 886357986 /nfs/dbraw/zinc/35/79/86/886357986.db2.gz MWZMOEJIWVBRNF-DOMZBBRYSA-N 1 1 394.338 3.546 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCSc1ccccc1F ZINC000116250062 886358429 /nfs/dbraw/zinc/35/84/29/886358429.db2.gz FALJGLSQCKJSQE-LPHOPBHVSA-N 1 1 387.524 3.730 10 0 GHAEMO CCOc1ccccc1CN(C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116970205 886374175 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C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000246008277 890171923 /nfs/dbraw/zinc/17/19/23/890171923.db2.gz SPVHCIMZBKKXJK-PXNSSMCTSA-N 1 1 398.482 3.639 10 0 GHAEMO COc1ccc(/C(C)=C/C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246425703 891234525 /nfs/dbraw/zinc/23/45/25/891234525.db2.gz ISTRDJSTSIEKSK-SWYPDFTJSA-N 1 1 379.504 3.520 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)C[C@H](O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246428301 891236418 /nfs/dbraw/zinc/23/64/18/891236418.db2.gz NRGKPKWEHGCFAR-LKUPVBHCSA-N 1 1 390.886 3.712 10 0 GHAEMO COc1ccc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)cs2)c(OC)c1 ZINC000246619618 891293407 /nfs/dbraw/zinc/29/34/07/891293407.db2.gz DZRNPVBHCVFENT-AEFFLSMTSA-N 1 1 392.546 3.534 10 0 GHAEMO COc1ccc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@H]43)cs2)c(OC)c1 ZINC000246619618 891293420 /nfs/dbraw/zinc/29/34/20/891293420.db2.gz DZRNPVBHCVFENT-AEFFLSMTSA-N 1 1 392.546 3.534 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)C2)CC1 ZINC000246631782 891294840 /nfs/dbraw/zinc/29/48/40/891294840.db2.gz AZIBYUBNNJQOOY-RHVFTSMTSA-N 1 1 387.612 3.612 10 0 GHAEMO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000246976795 891326829 /nfs/dbraw/zinc/32/68/29/891326829.db2.gz GZVDVWVWGKAETK-HZPDHXFCSA-N 1 1 398.469 3.596 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000247051814 891338138 /nfs/dbraw/zinc/33/81/38/891338138.db2.gz AZQUJJGWXIDOFI-DNVCBOLYSA-N 1 1 389.952 3.854 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000247057691 891340691 /nfs/dbraw/zinc/34/06/91/891340691.db2.gz OYLHMVAYAPQXNU-ZPMCFJSWSA-N 1 1 378.520 3.743 10 0 GHAEMO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247138622 891348450 /nfs/dbraw/zinc/34/84/50/891348450.db2.gz VZANZUNMGBTIIA-OXQOHEQNSA-N 1 1 376.504 3.820 10 0 GHAEMO Cc1cccc(OCCCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247329856 891368549 /nfs/dbraw/zinc/36/85/49/891368549.db2.gz YBXZGXJAVXHZIC-KNQAVFIVSA-N 1 1 381.520 3.576 10 0 GHAEMO c1csc([C@H]2CN(CCC[N@@H+]3CCO[C@@H](c4cccs4)C3)CCO2)c1 ZINC000247371073 891372110 /nfs/dbraw/zinc/37/21/10/891372110.db2.gz KQZDLXJPEKLAJC-IAGOWNOFSA-N 1 1 378.563 3.647 10 0 GHAEMO c1csc([C@H]2CN(CCC[N@H+]3CCO[C@@H](c4cccs4)C3)CCO2)c1 ZINC000247371073 891372121 /nfs/dbraw/zinc/37/21/21/891372121.db2.gz KQZDLXJPEKLAJC-IAGOWNOFSA-N 1 1 378.563 3.647 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(Cl)s1 ZINC000247568914 891387634 /nfs/dbraw/zinc/38/76/34/891387634.db2.gz WGRJENIQLPGAOO-XJKSGUPXSA-N 1 1 378.929 3.506 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000247744706 891394173 /nfs/dbraw/zinc/39/41/73/891394173.db2.gz XTOXEYJVCOESLI-ZMYBRWDISA-N 1 1 396.453 3.521 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3C[C@H]3c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000247744698 891394224 /nfs/dbraw/zinc/39/42/24/891394224.db2.gz XTOXEYJVCOESLI-CCKFTAQKSA-N 1 1 396.453 3.521 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC[C@H]21 ZINC000247970619 891404307 /nfs/dbraw/zinc/40/43/07/891404307.db2.gz HHMWLQOKDDSGDK-KBXCAEBGSA-N 1 1 378.467 3.513 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccccc3NC(=O)c3cccs3)CC[C@H]21 ZINC000248129113 891411153 /nfs/dbraw/zinc/41/11/53/891411153.db2.gz OGJRRGQYKIANJW-MAUKXSAKSA-N 1 1 383.517 3.557 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(-c4cccnc4)nc4ccccc43)CC[C@H]21 ZINC000248183648 891416110 /nfs/dbraw/zinc/41/61/10/891416110.db2.gz WWOOCNCPULBJNS-FDDCHVKYSA-N 1 1 386.499 3.853 10 0 GHAEMO COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248570971 891430328 /nfs/dbraw/zinc/43/03/28/891430328.db2.gz MABXSHSXSJMSRK-XQFWAAQXSA-N 1 1 399.579 3.601 10 0 GHAEMO C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248633494 891448537 /nfs/dbraw/zinc/44/85/37/891448537.db2.gz JDGNZBSOQXBVRE-SCLBCKFNSA-N 1 1 376.863 3.502 10 0 GHAEMO C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248633494 891448540 /nfs/dbraw/zinc/44/85/40/891448540.db2.gz JDGNZBSOQXBVRE-SCLBCKFNSA-N 1 1 376.863 3.502 10 0 GHAEMO Cc1c(-c2cc(CN(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C ZINC000248633135 891448620 /nfs/dbraw/zinc/44/86/20/891448620.db2.gz SZDPVOXNMHNSEK-PXNSSMCTSA-N 1 1 393.535 3.868 10 0 GHAEMO Cc1c(-c2cc(C[N@@H+](C)[C@H]3CCN(Cc4ccccc4)[C@@H](C)C3)on2)cnn1C ZINC000248633135 891448626 /nfs/dbraw/zinc/44/86/26/891448626.db2.gz SZDPVOXNMHNSEK-PXNSSMCTSA-N 1 1 393.535 3.868 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000249089988 891494015 /nfs/dbraw/zinc/49/40/15/891494015.db2.gz GKCHMXHNKMVLJG-SIKLNZKXSA-N 1 1 392.547 3.665 10 0 GHAEMO C[C@@]1(F)C[NH2+]CCN(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC000333255830 901946130 /nfs/dbraw/zinc/94/61/30/901946130.db2.gz DFCSAYZOFROFAR-FOIQADDNSA-N 1 1 388.512 3.581 10 0 GHAEMO Cn1cc(-c2cc(C[N@H+]3CCC[C@H](c4nc(-c5ccccc5)c[nH]4)C3)on2)cn1 ZINC000185034025 1014574949 /nfs/dbraw/zinc/57/49/49/1014574949.db2.gz HUKGXLAUHPMDRA-KRWDZBQOSA-N 1 1 388.475 3.845 10 0 GHAEMO Cc1cccc(N2CCN(c3nncc(-c4ccc5ccccc5c4)n3)CC2)[nH+]1 ZINC000011841988 204357072 /nfs/dbraw/zinc/35/70/72/204357072.db2.gz NYUICFUYXLDHQD-UHFFFAOYSA-N 1 1 382.471 3.722 10 0 GHAEMO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1[nH]nc2ccccc21 ZINC000011936129 204364741 /nfs/dbraw/zinc/36/47/41/204364741.db2.gz VMQYHPQMLPEJTA-UHFFFAOYSA-N 1 1 394.494 3.729 10 0 GHAEMO Cc1cc2[nH]c(C(=O)NCc3ccccc3C)c(C[NH+]3CCOCC3)c2s1 ZINC000065139021 205212940 /nfs/dbraw/zinc/21/29/40/205212940.db2.gz NSTXWZQYKCCZRQ-UHFFFAOYSA-N 1 1 383.517 3.608 10 0 GHAEMO COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@H]3[N@H+](C)CC2 ZINC000014645567 560223665 /nfs/dbraw/zinc/22/36/65/560223665.db2.gz SXGHNTVPXYHQSN-CQSZACIVSA-N 1 1 385.460 3.569 10 0 in-vitro GHAEMO COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@H]3[N@@H+](C)CC2 ZINC000014645567 560223667 /nfs/dbraw/zinc/22/36/67/560223667.db2.gz SXGHNTVPXYHQSN-CQSZACIVSA-N 1 1 385.460 3.569 10 0 in-vitro GHAEMO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000247778492 835266114 /nfs/dbraw/zinc/26/61/14/835266114.db2.gz RHGDHKMZMQYNNH-PBHICJAKSA-N 1 1 391.313 3.618 10 0 GHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000247778492 835266120 /nfs/dbraw/zinc/26/61/20/835266120.db2.gz RHGDHKMZMQYNNH-PBHICJAKSA-N 1 1 391.313 3.618 10 0 GHAEMO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@H]4CCCC[N@@H+]4C[C@@H]3C)c12 ZINC000329642874 835519506 /nfs/dbraw/zinc/51/95/06/835519506.db2.gz IQVKFIURNRVXBE-MAUKXSAKSA-N 1 1 390.487 3.897 10 0 GHAEMO Cc1onc(-c2ccccc2)c1-c1nnc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)o1 ZINC000329682872 835673580 /nfs/dbraw/zinc/67/35/80/835673580.db2.gz YVAUPUCGACVRRC-MAUKXSAKSA-N 1 1 393.491 3.759 10 0 GHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000106211153 840779280 /nfs/dbraw/zinc/77/92/80/840779280.db2.gz VGRKGXPIWFYTRV-GWZYHKFFSA-N 1 1 384.568 3.647 10 0 GHAEMO O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000153865089 842235404 /nfs/dbraw/zinc/23/54/04/842235404.db2.gz KVGBIMXYGPEQKR-FGZHOGPDSA-N 1 1 382.479 3.517 10 0 GHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1nnc(-c3ccccc3Br)o1)CC2 ZINC000128487082 842724077 /nfs/dbraw/zinc/72/40/77/842724077.db2.gz JRTMVFHEIYXVPR-ACJLOTCBSA-N 1 1 392.297 3.626 10 0 GHAEMO COCc1ccc([C@H]2CCCN2C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)o1 ZINC000163177967 842963418 /nfs/dbraw/zinc/96/34/18/842963418.db2.gz YBCIHKKZEQTINA-LJQANCHMSA-N 1 1 398.507 3.645 10 0 GHAEMO Cc1cccnc1/C=C\C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000588455714 843357119 /nfs/dbraw/zinc/35/71/19/843357119.db2.gz FVCGSPBPHOYNGC-BMYSDILASA-N 1 1 375.516 3.916 10 0 GHAEMO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3nnc(Cc4ccccc4C)o3)C2)c1 ZINC000151085649 845145741 /nfs/dbraw/zinc/14/57/41/845145741.db2.gz CPBYKNBLOFBTLO-GOSISDBHSA-N 1 1 393.487 3.976 10 0 GHAEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](Cc3nnc(Cc4ccccc4C)o3)C2)c1 ZINC000151085649 845145746 /nfs/dbraw/zinc/14/57/46/845145746.db2.gz CPBYKNBLOFBTLO-GOSISDBHSA-N 1 1 393.487 3.976 10 0 GHAEMO Clc1ccc([C@@H]2OCC[C@H]2c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000333630765 847585698 /nfs/dbraw/zinc/58/56/98/847585698.db2.gz GNNYJRQXSIAOMH-VQHPVUNQSA-N 1 1 375.856 3.504 10 0 GHAEMO Clc1ccc([C@@H]2OCC[C@H]2c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000333630765 847585706 /nfs/dbraw/zinc/58/57/06/847585706.db2.gz GNNYJRQXSIAOMH-VQHPVUNQSA-N 1 1 375.856 3.504 10 0 GHAEMO Cc1ccc([C@@H]2CN(C(=O)Nc3ccc([C@H](C)[NH+]4CCOCC4)cc3)CCO2)o1 ZINC000154052093 849175631 /nfs/dbraw/zinc/17/56/31/849175631.db2.gz IHDLLVXMTUFISS-UWJYYQICSA-N 1 1 399.491 3.587 10 0 GHAEMO Cc1ccc(Br)c(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000329683629 862052895 /nfs/dbraw/zinc/05/28/95/862052895.db2.gz TVVWHDLCTQEGAI-RHSMWYFYSA-N 1 1 378.270 3.733 10 0 GHAEMO COc1c(C)cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1C ZINC000101566225 851665552 /nfs/dbraw/zinc/66/55/52/851665552.db2.gz UKOZEWDVTVXNPB-MRXNPFEDSA-N 1 1 383.492 3.729 10 0 GHAEMO COc1c(C)cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1C ZINC000101566225 851665561 /nfs/dbraw/zinc/66/55/61/851665561.db2.gz UKOZEWDVTVXNPB-MRXNPFEDSA-N 1 1 383.492 3.729 10 0 GHAEMO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329812111 862339213 /nfs/dbraw/zinc/33/92/13/862339213.db2.gz NAMUPCBCKWLZBB-ISBMVONUSA-N 1 1 387.564 3.847 10 0 GHAEMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c12 ZINC000195333168 856355239 /nfs/dbraw/zinc/35/52/39/856355239.db2.gz YIYIVPLKUPINQD-MRXNPFEDSA-N 1 1 383.540 3.538 10 0 GHAEMO COc1ccccc1CC[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000104710926 856373783 /nfs/dbraw/zinc/37/37/83/856373783.db2.gz HGZXTDDORAVMFJ-UHFFFAOYSA-N 1 1 392.503 3.611 10 0 GHAEMO COc1ccccc1CC[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000104710926 856373793 /nfs/dbraw/zinc/37/37/93/856373793.db2.gz HGZXTDDORAVMFJ-UHFFFAOYSA-N 1 1 392.503 3.611 10 0 GHAEMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000102959653 860919900 /nfs/dbraw/zinc/91/99/00/860919900.db2.gz ZJPUQHAIQNKVFJ-FQEVSTJZSA-N 1 1 395.503 3.914 10 0 GHAEMO CN(CCc1ccc(F)cc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103184541 863904373 /nfs/dbraw/zinc/90/43/73/863904373.db2.gz DDYCTWRABGXGFH-OAQYLSRUSA-N 1 1 383.511 3.574 10 0 GHAEMO COc1ccccc1CC[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000104710387 864554826 /nfs/dbraw/zinc/55/48/26/864554826.db2.gz GAZYPURFDVGPLB-UHFFFAOYSA-N 1 1 392.253 3.775 10 0 GHAEMO COc1ccccc1CC[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000104710387 864554834 /nfs/dbraw/zinc/55/48/34/864554834.db2.gz GAZYPURFDVGPLB-UHFFFAOYSA-N 1 1 392.253 3.775 10 0 GHAEMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000104710888 864587071 /nfs/dbraw/zinc/58/70/71/864587071.db2.gz FKBGIVPMCCMPQI-AWEZNQCLSA-N 1 1 376.884 3.859 10 0 GHAEMO CC(=O)N(c1nc(C[NH2+][C@H]2Cc3ccccc3[C@H]2O)cs1)c1ccc(C)cc1 ZINC000172068206 882167543 /nfs/dbraw/zinc/16/75/43/882167543.db2.gz HQCWIWGXGVNHTP-LEWJYISDSA-N 1 1 393.512 3.884 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(OC(F)F)cc1 ZINC000172142986 882171334 /nfs/dbraw/zinc/17/13/34/882171334.db2.gz DILDQKHNKIRFEQ-KDOFPFPSSA-N 1 1 390.434 3.715 10 0 GHAEMO COc1c(C)ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000172147281 882173161 /nfs/dbraw/zinc/17/31/61/882173161.db2.gz MOIRVVBBPQNDAO-QFBILLFUSA-N 1 1 382.508 3.739 10 0 GHAEMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)NC1CCC(C(F)(F)F)CC1 ZINC000056762103 870584774 /nfs/dbraw/zinc/58/47/74/870584774.db2.gz FZIKYKQGTPRTAW-UHFFFAOYSA-N 1 1 399.457 3.804 10 0 GHAEMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000174551762 882480913 /nfs/dbraw/zinc/48/09/13/882480913.db2.gz SXTQTAHAZWXEFP-AWEZNQCLSA-N 1 1 376.888 3.759 10 0 GHAEMO COc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000093507445 882555073 /nfs/dbraw/zinc/55/50/73/882555073.db2.gz FQVQLQXDAAFGAW-UYAOXDASSA-N 1 1 386.492 3.880 10 0 GHAEMO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000176004834 882656404 /nfs/dbraw/zinc/65/64/04/882656404.db2.gz SVGVVIMPNOYAOW-VABKMULXSA-N 1 1 383.580 3.542 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCCOc4ccccc43)CC2)[nH+]1 ZINC000116952389 873797448 /nfs/dbraw/zinc/79/74/48/873797448.db2.gz KJPWXTNANOCFRG-LJQANCHMSA-N 1 1 380.492 3.572 10 0 GHAEMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000104709348 874662418 /nfs/dbraw/zinc/66/24/18/874662418.db2.gz ZYWOJUZCERMDGC-SFHVURJKSA-N 1 1 381.520 3.797 10 0 GHAEMO Fc1ccc(C([NH2+]Cc2cccnc2-n2cncn2)c2ccc(F)cc2)cc1 ZINC000180122280 883021485 /nfs/dbraw/zinc/02/14/85/883021485.db2.gz NGYIVRHEQXHXLC-UHFFFAOYSA-N 1 1 377.398 3.820 10 0 GHAEMO C[C@H](SCC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1nc2ccccc2[nH]1 ZINC000121953179 878066452 /nfs/dbraw/zinc/06/64/52/878066452.db2.gz SNOKYCGEDZDHCJ-HNNXBMFYSA-N 1 1 397.548 3.572 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)[C@@H](C)c3cn(C)c4ccccc34)CC2)[nH+]1 ZINC000186588492 883667224 /nfs/dbraw/zinc/66/72/24/883667224.db2.gz INKFUIYIZYQHMX-KRWDZBQOSA-N 1 1 376.504 3.770 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(Cl)cc1F ZINC000187136717 883750133 /nfs/dbraw/zinc/75/01/33/883750133.db2.gz ZQWKYNINHLHUHY-LIRRHRJNSA-N 1 1 390.890 3.584 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)CCO1 ZINC000108820891 886088658 /nfs/dbraw/zinc/08/86/58/886088658.db2.gz LTZVOGCGFSLORE-NLSFWIRASA-N 1 1 378.516 3.655 10 0 GHAEMO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000116253027 886358168 /nfs/dbraw/zinc/35/81/68/886358168.db2.gz FJKIIEUQVGXHPR-JXFKEZNVSA-N 1 1 399.922 3.725 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000116253027 886358188 /nfs/dbraw/zinc/35/81/88/886358188.db2.gz FJKIIEUQVGXHPR-JXFKEZNVSA-N 1 1 399.922 3.725 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000116568429 886365047 /nfs/dbraw/zinc/36/50/47/886365047.db2.gz DUQOHMHMQFINIS-UZLBHIALSA-N 1 1 386.927 3.787 10 0 GHAEMO COc1ccc([C@H](C)N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116569239 886368260 /nfs/dbraw/zinc/36/82/60/886368260.db2.gz WKSBKFIEZLLGSG-SPEDKVCISA-N 1 1 396.535 3.703 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)CCO1 ZINC000124380738 886738661 /nfs/dbraw/zinc/73/86/61/886738661.db2.gz RJQVJSYFHZODSV-KRWDZBQOSA-N 1 1 391.515 3.975 10 0 GHAEMO COc1ccc(CNC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1Cl ZINC000126494397 886973812 /nfs/dbraw/zinc/97/38/12/886973812.db2.gz PNOOMDOXVYVPFZ-UHFFFAOYSA-N 1 1 388.899 3.520 10 0 GHAEMO C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000131628081 887562660 /nfs/dbraw/zinc/56/26/60/887562660.db2.gz CELSFVFZLYZQBJ-KNBMTAEXSA-N 1 1 386.517 3.527 10 0 GHAEMO Cc1c([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1ccccn1 ZINC000195136382 888649477 /nfs/dbraw/zinc/64/94/77/888649477.db2.gz NAKHPVYBRLJKLE-WIYYLYMNSA-N 1 1 375.520 3.748 10 0 GHAEMO Cc1c([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1ccccn1 ZINC000195136382 888649487 /nfs/dbraw/zinc/64/94/87/888649487.db2.gz NAKHPVYBRLJKLE-WIYYLYMNSA-N 1 1 375.520 3.748 10 0 GHAEMO Cc1csc(C2CC[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC2)n1 ZINC000195319007 888677985 /nfs/dbraw/zinc/67/79/85/888677985.db2.gz GDKPSFITOXDNOU-UHFFFAOYSA-N 1 1 384.549 3.870 10 0 GHAEMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195342572 888681436 /nfs/dbraw/zinc/68/14/36/888681436.db2.gz ZZMAKYKYYNJZJG-SJORKVTESA-N 1 1 384.549 3.950 10 0 GHAEMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195342572 888681439 /nfs/dbraw/zinc/68/14/39/888681439.db2.gz ZZMAKYKYYNJZJG-SJORKVTESA-N 1 1 384.549 3.950 10 0 GHAEMO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195342763 888681784 /nfs/dbraw/zinc/68/17/84/888681784.db2.gz BWRTUHYZOKYMOV-WBVHZDCISA-N 1 1 382.533 3.551 10 0 GHAEMO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195342763 888681790 /nfs/dbraw/zinc/68/17/90/888681790.db2.gz BWRTUHYZOKYMOV-WBVHZDCISA-N 1 1 382.533 3.551 10 0 GHAEMO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)cc1 ZINC000245438693 888751993 /nfs/dbraw/zinc/75/19/93/888751993.db2.gz SHNXMXXQEHCRBQ-HZPDHXFCSA-N 1 1 387.553 3.788 10 0 GHAEMO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)cc1 ZINC000245438693 888752002 /nfs/dbraw/zinc/75/20/02/888752002.db2.gz SHNXMXXQEHCRBQ-HZPDHXFCSA-N 1 1 387.553 3.788 10 0 GHAEMO C[N@H+]1CC[C@H](NC(=O)N[C@@H](c2nccs2)c2ccccc2)[C@H]1c1ccccc1 ZINC000245699474 889275242 /nfs/dbraw/zinc/27/52/42/889275242.db2.gz YVIRPRLCNBXRAB-XUVXKRRUSA-N 1 1 392.528 3.977 10 0 GHAEMO 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CCN(C(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246161172 890527700 /nfs/dbraw/zinc/52/77/00/890527700.db2.gz UMGYWTHYZYMBQI-FUHWJXTLSA-N 1 1 399.514 3.541 10 0 GHAEMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 ZINC000068271093 891173399 /nfs/dbraw/zinc/17/33/99/891173399.db2.gz DOMZJTCUEOMQID-HXUWFJFHSA-N 1 1 397.544 3.646 10 0 GHAEMO Cc1noc(-c2ccccc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000246419255 891230775 /nfs/dbraw/zinc/23/07/75/891230775.db2.gz BSPQDTSXQUMLAI-LPHOPBHVSA-N 1 1 390.487 3.828 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000246844884 891315814 /nfs/dbraw/zinc/31/58/14/891315814.db2.gz DEVNBYFIBNQMOC-IUODEOHRSA-N 1 1 378.398 3.531 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCC(C)(C)c1cccs1 ZINC000247032734 891335269 /nfs/dbraw/zinc/33/52/69/891335269.db2.gz NOYMMNNMNVGVON-SJLPKXTDSA-N 1 1 386.565 3.631 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1csc(-c2ccsc2)n1 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3.548 10 0 GHAEMO Cc1c2cccc(Cl)c2oc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000173284039 882346011 /nfs/dbraw/zinc/34/60/11/882346011.db2.gz WQRWMYQQCBZQQG-MRXNPFEDSA-N 1 1 389.927 3.637 10 0 GHAEMO Cc1csc([C@@H]2CCCN(C(=O)NC3CCN(c4ccc(C)c[nH+]4)CC3)C2)n1 ZINC000175279369 882564440 /nfs/dbraw/zinc/56/44/40/882564440.db2.gz KFEGMKFGCNTDSS-QGZVFWFLSA-N 1 1 399.564 3.713 10 0 GHAEMO CSc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1Cl ZINC000176104704 882666490 /nfs/dbraw/zinc/66/64/90/882666490.db2.gz TVNKAIJQYXDCSO-ZDUSSCGKSA-N 1 1 383.945 3.779 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CCC(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000116837094 873726411 /nfs/dbraw/zinc/72/64/11/873726411.db2.gz IHUCLHZFVUAJGA-UHFFFAOYSA-N 1 1 385.895 3.792 10 0 GHAEMO COc1ccc(OC(F)F)c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000121036711 876454161 /nfs/dbraw/zinc/45/41/61/876454161.db2.gz JNKYBQQXTUHUBD-UHFFFAOYSA-N 1 1 396.478 3.911 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CCO1 ZINC000180044125 883047603 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379.838 3.654 10 0 GHAEMO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000104058217 885238687 /nfs/dbraw/zinc/23/86/87/885238687.db2.gz CTLATPQOWGGWKL-CYBMUJFWSA-N 1 1 380.477 3.781 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000106164758 886027208 /nfs/dbraw/zinc/02/72/08/886027208.db2.gz FVEWOZGQZKMHQS-UHFFFAOYSA-N 1 1 394.491 3.628 10 0 GHAEMO COc1ccccc1C(C)(C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000116544787 886365441 /nfs/dbraw/zinc/36/54/41/886365441.db2.gz NUCBYJLFZQLJLH-XLIONFOSSA-N 1 1 396.535 3.535 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3cc(F)c(Cl)nc3Cl)CC2)[nH+]1 ZINC000116670910 886368990 /nfs/dbraw/zinc/36/89/90/886368990.db2.gz KZLULHSWKYYKDU-UHFFFAOYSA-N 1 1 383.254 3.630 10 0 GHAEMO C[C@@H](c1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000332824313 886551171 /nfs/dbraw/zinc/55/11/71/886551171.db2.gz IBXVZOUFKPNIJJ-JXFKEZNVSA-N 1 1 381.476 3.725 10 0 GHAEMO COc1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1-c1ccccn1 ZINC000123597747 886653070 /nfs/dbraw/zinc/65/30/70/886653070.db2.gz GGHMYHDCJFUXJP-UHFFFAOYSA-N 1 1 390.487 3.586 10 0 GHAEMO CC[C@H](C)n1ncc(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1C1CC1 ZINC000126268731 886951342 /nfs/dbraw/zinc/95/13/42/886951342.db2.gz GAUURPUNUCGXJM-INIZCTEOSA-N 1 1 381.524 3.834 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000245549614 888907139 /nfs/dbraw/zinc/90/71/39/888907139.db2.gz OHPVEVCRMFELDM-COPCDDAFSA-N 1 1 395.547 3.965 10 0 GHAEMO Cc1noc(C)c1CC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245608924 889060249 /nfs/dbraw/zinc/06/02/49/889060249.db2.gz UGZHBHRTFYEGKL-QUCCMNQESA-N 1 1 393.890 3.967 10 0 GHAEMO Cc1noc(C)c1CC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245608924 889060261 /nfs/dbraw/zinc/06/02/61/889060261.db2.gz UGZHBHRTFYEGKL-QUCCMNQESA-N 1 1 393.890 3.967 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245667755 889193584 /nfs/dbraw/zinc/19/35/84/889193584.db2.gz HLIDIIPNOWQQLW-JXXFODFXSA-N 1 1 382.907 3.937 10 0 GHAEMO CCC(CC)n1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000245706175 889337771 /nfs/dbraw/zinc/33/77/71/889337771.db2.gz XSFFGIYOXJQMMU-IERDGZPVSA-N 1 1 383.540 3.588 10 0 GHAEMO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(Cl)cc1F ZINC000246289379 890946258 /nfs/dbraw/zinc/94/62/58/890946258.db2.gz BINQEWFKDIPYDY-KUHUBIRLSA-N 1 1 375.875 3.823 10 0 GHAEMO CSc1ccc(Cl)cc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000068314211 891175179 /nfs/dbraw/zinc/17/51/79/891175179.db2.gz OPEDTYJQYXVETH-ZDUSSCGKSA-N 1 1 383.945 3.779 10 0 GHAEMO Brc1cc2cccnc2c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000246854834 891314953 /nfs/dbraw/zinc/31/49/53/891314953.db2.gz KWAVLZJOOKXVJK-CVEARBPZSA-N 1 1 379.323 3.704 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccccc1OC(F)F ZINC000247000568 891330374 /nfs/dbraw/zinc/33/03/74/891330374.db2.gz LUVKURUITHQFFM-GOEBONIOSA-N 1 1 390.434 3.715 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000247057650 891340065 /nfs/dbraw/zinc/34/00/65/891340065.db2.gz OYLHMVAYAPQXNU-VOQZNFBZSA-N 1 1 378.520 3.743 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000247187470 891352680 /nfs/dbraw/zinc/35/26/80/891352680.db2.gz KSRNHIZORYFQDG-KBXCAEBGSA-N 1 1 377.410 3.741 10 0 GHAEMO Cc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000247211159 891354574 /nfs/dbraw/zinc/35/45/74/891354574.db2.gz WZDYZATXKIWXOO-RTBURBONSA-N 1 1 377.506 3.642 10 0 GHAEMO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCc1ccncc1 ZINC000247257677 891359874 /nfs/dbraw/zinc/35/98/74/891359874.db2.gz XMGLFYJTOANMHM-NHCUHLMSSA-N 1 1 381.520 3.585 10 0 GHAEMO Cc1cc(C(=O)CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)s1 ZINC000247261464 891360641 /nfs/dbraw/zinc/36/06/41/891360641.db2.gz QKQKLKUQOXUBKF-FOIQADDNSA-N 1 1 399.560 3.750 10 0 GHAEMO Cc1cc(C(=O)CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)s1 ZINC000247261464 891360657 /nfs/dbraw/zinc/36/06/57/891360657.db2.gz QKQKLKUQOXUBKF-FOIQADDNSA-N 1 1 399.560 3.750 10 0 GHAEMO C[N@H+]1CC[C@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000247990970 891405751 /nfs/dbraw/zinc/40/57/51/891405751.db2.gz JERQZHWFSFXXKU-PGRDOPGGSA-N 1 1 398.528 3.622 10 0 GHAEMO O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000248443461 891436923 /nfs/dbraw/zinc/43/69/23/891436923.db2.gz LJUQEIOWUUPQSG-IRLDBZIGSA-N 1 1 378.516 3.789 10 0 GHAEMO CSCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248744455 891465031 /nfs/dbraw/zinc/46/50/31/891465031.db2.gz RSZRJHFCLKQLQS-VQIMIIECSA-N 1 1 384.549 3.977 10 0 GHAEMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)[C@H]1c1ccccc1 ZINC000249051606 891490701 /nfs/dbraw/zinc/49/07/01/891490701.db2.gz OGNJXDMCFNNBNN-TZIWHRDSSA-N 1 1 378.476 3.528 10 0 GHAEMO Cc1cnccc1CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249109771 891495792 /nfs/dbraw/zinc/49/57/92/891495792.db2.gz AQWQLKGMKZLBFP-UZLBHIALSA-N 1 1 375.875 3.534 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000249112252 891497140 /nfs/dbraw/zinc/49/71/40/891497140.db2.gz CFGVNNPHOWXXHD-LAUBAEHRSA-N 1 1 398.576 3.943 10 0 GHAEMO CCOCCC[N@H+]1CC[C@H](NCc2ncc(-c3ccccc3F)o2)[C@@H](C)C1 ZINC000249391895 891504593 /nfs/dbraw/zinc/50/45/93/891504593.db2.gz RYJFGQHRGHOSSO-LPHOPBHVSA-N 1 1 375.488 3.707 10 0 GHAEMO CCc1cccc(CC)c1NC(=O)C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931401 898050136 /nfs/dbraw/zinc/05/01/36/898050136.db2.gz XCYDEOBREPDBQU-UHFFFAOYSA-N 1 1 395.547 3.974 10 0 GHAEMO CCc1cccc(CC)c1NC(=O)C[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931401 898050146 /nfs/dbraw/zinc/05/01/46/898050146.db2.gz XCYDEOBREPDBQU-UHFFFAOYSA-N 1 1 395.547 3.974 10 0 GHAEMO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000333717932 902289586 /nfs/dbraw/zinc/28/95/86/902289586.db2.gz UBBCQINMQLLSHQ-LPHOPBHVSA-N 1 1 379.426 3.976 10 0 GHAEMO Cc1c2cc(C)cc(CNC(=O)C[NH+]3CCC(O)CC3)c2[nH]c1-c1ccccc1 ZINC000011816770 204353923 /nfs/dbraw/zinc/35/39/23/204353923.db2.gz NTPJSPWIEIUOON-UHFFFAOYSA-N 1 1 391.515 3.525 10 0 GHAEMO COC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840490 570463469 /nfs/dbraw/zinc/46/34/69/570463469.db2.gz DWXXZRRCHMIFPP-HSZRJFAPSA-N 1 1 382.479 3.685 10 0 GHAEMO O=C(C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1)N(C1CC1)C1CCCC1 ZINC000329732400 835810997 /nfs/dbraw/zinc/81/09/97/835810997.db2.gz IUGLNDAQGGLAJN-ZDUSSCGKSA-N 1 1 384.446 3.542 10 0 GHAEMO Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1OCC1CCOCC1 ZINC000119491118 840323878 /nfs/dbraw/zinc/32/38/78/840323878.db2.gz BEKCSGWJWNNEBO-FQEVSTJZSA-N 1 1 387.524 3.502 10 0 GHAEMO Cc1cc(-c2cc(C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)c3c(C)noc3n2)c(C)o1 ZINC000408145019 841139576 /nfs/dbraw/zinc/13/95/76/841139576.db2.gz PFWGWKCACQCVPN-DNVCBOLYSA-N 1 1 394.475 3.574 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1 ZINC000162354976 843235400 /nfs/dbraw/zinc/23/54/00/843235400.db2.gz UEBXJGJFEPKQCI-UHFFFAOYSA-N 1 1 398.507 3.701 10 0 GHAEMO Cc1csc(-c2cccc(C(=O)N3CCC(Cc4[nH+]ccn4C)CC3)c2)n1 ZINC000162501919 843266146 /nfs/dbraw/zinc/26/61/46/843266146.db2.gz ZLHMZNXDJBSHED-UHFFFAOYSA-N 1 1 380.517 3.947 10 0 GHAEMO Cc1ccc(-c2cnc(CCC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)o2)cc1 ZINC000162626545 843288210 /nfs/dbraw/zinc/28/82/10/843288210.db2.gz LIDSKMNTXFKAAI-UHFFFAOYSA-N 1 1 392.503 3.797 10 0 GHAEMO CC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1C ZINC000119689690 846244228 /nfs/dbraw/zinc/24/42/28/846244228.db2.gz UHCWERBEYLOKAG-HRAATJIYSA-N 1 1 380.492 3.625 10 0 GHAEMO CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCC(c3nccs3)CC2)cc[nH+]1 ZINC000329692202 862093900 /nfs/dbraw/zinc/09/39/00/862093900.db2.gz GUIMHDXGDBSKLX-AEFFLSMTSA-N 1 1 387.553 3.933 10 0 GHAEMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(Br)ccc3F)n1)OC2 ZINC000329695853 862100692 /nfs/dbraw/zinc/10/06/92/862100692.db2.gz XRGREAPYHVYXAS-BBRMVZONSA-N 1 1 382.233 3.564 10 0 GHAEMO O=C1CC[C@@H]([NH2+]Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C2(CCC2)N1 ZINC000328705085 854516376 /nfs/dbraw/zinc/51/63/76/854516376.db2.gz PDAXXGVFPZFOQR-CYBMUJFWSA-N 1 1 380.370 3.887 10 0 GHAEMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000051056372 854689086 /nfs/dbraw/zinc/68/90/86/854689086.db2.gz TTXMGMCCQQDQOA-LSDHHAIUSA-N 1 1 380.916 3.723 10 0 GHAEMO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+](C)C[C@@H]1CCCO1 ZINC000102770751 860853012 /nfs/dbraw/zinc/85/30/12/860853012.db2.gz AOVGMONBEHBOQF-YPMHNXCESA-N 1 1 381.448 3.526 10 0 GHAEMO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000102770751 860853026 /nfs/dbraw/zinc/85/30/26/860853026.db2.gz AOVGMONBEHBOQF-YPMHNXCESA-N 1 1 381.448 3.526 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCSc4ccccc43)CC2)[nH+]1 ZINC000172060890 882166000 /nfs/dbraw/zinc/16/60/00/882166000.db2.gz LTHNGSRDPRMSCN-GOSISDBHSA-N 1 1 382.533 3.895 10 0 GHAEMO COc1ccc2sc(C(=O)N3CCC([N@H+]4CCO[C@H](C)C4)CC3)c(C)c2c1 ZINC000173625540 882386883 /nfs/dbraw/zinc/38/68/83/882386883.db2.gz ASXWDFCCMXTAQE-CQSZACIVSA-N 1 1 388.533 3.544 10 0 GHAEMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000174551749 882480961 /nfs/dbraw/zinc/48/09/61/882480961.db2.gz SXTQTAHAZWXEFP-CQSZACIVSA-N 1 1 376.888 3.759 10 0 GHAEMO CC(C)CCOc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000174978555 882510977 /nfs/dbraw/zinc/51/09/77/882510977.db2.gz OLGJLZMRXXMEDG-SFHVURJKSA-N 1 1 389.540 3.829 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N(C)Cc3cc4ccccc4o3)CC2)[nH+]1 ZINC000175526949 882594416 /nfs/dbraw/zinc/59/44/16/882594416.db2.gz FRJVOROARDMIQV-UHFFFAOYSA-N 1 1 378.476 3.947 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)[nH]c21 ZINC000175965156 882651012 /nfs/dbraw/zinc/65/10/12/882651012.db2.gz BQVGIOCUEWNANT-IBGZPJMESA-N 1 1 382.552 3.774 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)[C@H]3C[C@@H]3c3cccc4ccccc43)C2)CC1 ZINC000175988372 882653885 /nfs/dbraw/zinc/65/38/85/882653885.db2.gz QQDLWQIZDUDQCH-HUVFLSCGSA-N 1 1 391.559 3.572 10 0 GHAEMO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116486380 873514951 /nfs/dbraw/zinc/51/49/51/873514951.db2.gz WBSVZMGZXMQEDM-UWJYYQICSA-N 1 1 382.508 3.901 10 0 GHAEMO CC(C)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116568278 873567771 /nfs/dbraw/zinc/56/77/71/873567771.db2.gz YASZXYPXXCIGOR-UGKGYDQZSA-N 1 1 380.536 3.912 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC000152407684 882850674 /nfs/dbraw/zinc/85/06/74/882850674.db2.gz OTKKQNYAMZXPTG-QZTJIDSGSA-N 1 1 398.507 3.715 10 0 GHAEMO CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000119137661 874944767 /nfs/dbraw/zinc/94/47/67/874944767.db2.gz IDESBLFYYXZFHR-UHFFFAOYSA-N 1 1 390.478 3.825 10 0 GHAEMO Cc1cccc2nc(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)[nH]c21 ZINC000178861025 882959386 /nfs/dbraw/zinc/95/93/86/882959386.db2.gz CSOOWYUPPRQPME-UHFFFAOYSA-N 1 1 376.504 3.585 10 0 GHAEMO 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OMTBLFCKFVDJFM-NJDAHSKKSA-N 1 1 381.472 3.712 10 0 GHAEMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccnc(-c2cccs2)c1 ZINC000064676036 222079684 /nfs/dbraw/zinc/07/96/84/222079684.db2.gz QHNLUAHBHFKLFG-UHFFFAOYSA-N 1 1 377.513 3.988 10 0 GHAEMO CCc1cc(OC)c(OC)cc1[C@@H]1CC2(OCCO2)[C@@H]2CCCC[C@@H]2[N@H+]1C ZINC000048524027 570250995 /nfs/dbraw/zinc/25/09/95/570250995.db2.gz NDHIZGXRKXDSMH-QYZOEREBSA-N 1 1 375.509 3.945 10 0 GHAEMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3nc(C)cs3)CC2)c(OC)c1 ZINC000156677349 834498083 /nfs/dbraw/zinc/49/80/83/834498083.db2.gz JAOXRXXVFLADSL-AWEZNQCLSA-N 1 1 389.521 3.675 10 0 GHAEMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3nc(C)cs3)CC2)cc1OC ZINC000156708662 834521426 /nfs/dbraw/zinc/52/14/26/834521426.db2.gz QCJTUXNGVJZNAF-AWEZNQCLSA-N 1 1 389.521 3.675 10 0 GHAEMO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c12 ZINC000113229033 837822352 /nfs/dbraw/zinc/82/23/52/837822352.db2.gz SCYFIGUKMWKCIF-YOEHRIQHSA-N 1 1 376.460 3.507 10 0 GHAEMO 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CCCc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)[C@H](COC)c3ccccn3)cc2)n1 ZINC000023428781 837073139 /nfs/dbraw/zinc/07/31/39/837073139.db2.gz SBKIVOLPUNTTJC-OAQYLSRUSA-N 1 1 392.503 3.604 10 0 GHAEMO C[C@@H](Sc1ccc(F)c(F)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000105678347 841755473 /nfs/dbraw/zinc/75/54/73/841755473.db2.gz VEGCBTQWSGRKOV-GDBMZVCRSA-N 1 1 376.472 3.836 10 0 GHAEMO CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000329284111 861247071 /nfs/dbraw/zinc/24/70/71/861247071.db2.gz FZBTVSNQMBQUTL-HZVKZAKPSA-N 1 1 388.556 3.612 10 0 GHAEMO Cc1cc(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)ccc1Br ZINC000329615604 861778542 /nfs/dbraw/zinc/77/85/42/861778542.db2.gz SFSBPHCLJJLGMY-PBHICJAKSA-N 1 1 378.270 3.733 10 0 GHAEMO Cc1nc(C(C)(C)NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)sc1C ZINC000153269728 848325476 /nfs/dbraw/zinc/32/54/76/848325476.db2.gz XRRZAXHLQLCRHV-UHFFFAOYSA-N 1 1 387.553 3.667 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)[nH+]c1 ZINC000156335007 849873673 /nfs/dbraw/zinc/87/36/73/849873673.db2.gz BEFFOWTXCGPNCA-UHFFFAOYSA-N 1 1 381.524 3.863 10 0 GHAEMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000328991067 854643215 /nfs/dbraw/zinc/64/32/15/854643215.db2.gz IGZFJVDLGSZDPE-IBGZPJMESA-N 1 1 395.551 3.843 10 0 GHAEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000328991067 854643219 /nfs/dbraw/zinc/64/32/19/854643219.db2.gz IGZFJVDLGSZDPE-IBGZPJMESA-N 1 1 395.551 3.843 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccnc(N[C@@H]3CCCO[C@@H]3C(C)C)n2)C1 ZINC000330126021 862595609 /nfs/dbraw/zinc/59/56/09/862595609.db2.gz IPAWIQBCHWPIQZ-DBXWQHBBSA-N 1 1 398.555 3.693 10 0 GHAEMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2)C1 ZINC000162231600 859829030 /nfs/dbraw/zinc/82/90/30/859829030.db2.gz SCVGYQJGANRMNQ-ZFJSRUIDSA-N 1 1 399.579 3.755 10 0 GHAEMO COCc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nc(C(C)(C)C)n1 ZINC000301775777 865532347 /nfs/dbraw/zinc/53/23/47/865532347.db2.gz GMNLXYIDJRHEFR-LPHOPBHVSA-N 1 1 383.540 3.638 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cc(C4CC4)nc4ccc(F)cc43)CC2)CCO1 ZINC000173252770 882345175 /nfs/dbraw/zinc/34/51/75/882345175.db2.gz NUMJLGCPNNOJHS-HNNXBMFYSA-N 1 1 397.494 3.577 10 0 GHAEMO Cc1cccc2nc(CCC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)[nH]c21 ZINC000175677062 882572058 /nfs/dbraw/zinc/57/20/58/882572058.db2.gz KABLGZMIYJGRHW-UHFFFAOYSA-N 1 1 394.494 3.724 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N(C)C3CC[NH+](Cc4ccccc4)CC3)[nH]c21 ZINC000176506040 882700231 /nfs/dbraw/zinc/70/02/31/882700231.db2.gz UZPJRWCYTDDDAJ-UHFFFAOYSA-N 1 1 390.531 3.927 10 0 GHAEMO Cc1cc(C(=O)CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)s1 ZINC000116246614 873368724 /nfs/dbraw/zinc/36/87/24/873368724.db2.gz QKQKLKUQOXUBKF-MGPUTAFESA-N 1 1 399.560 3.750 10 0 GHAEMO Cc1cc(C(=O)CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)s1 ZINC000116246614 873368736 /nfs/dbraw/zinc/36/87/36/873368736.db2.gz QKQKLKUQOXUBKF-MGPUTAFESA-N 1 1 399.560 3.750 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000116492455 873517424 /nfs/dbraw/zinc/51/74/24/873517424.db2.gz PNRCMUDCMJIUDT-QAPCUYQASA-N 1 1 396.491 3.621 10 0 GHAEMO COc1ccccc1CC1CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000102410572 882784535 /nfs/dbraw/zinc/78/45/35/882784535.db2.gz NOXXERHTSBTFDT-UHFFFAOYSA-N 1 1 395.503 3.547 10 0 GHAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000179974352 883041476 /nfs/dbraw/zinc/04/14/76/883041476.db2.gz MMFQMHOUIXRTNS-AWEZNQCLSA-N 1 1 385.339 3.627 10 0 GHAEMO CN(C)c1nc(-c2ccccc2)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)s1 ZINC000180459094 883059153 /nfs/dbraw/zinc/05/91/53/883059153.db2.gz MESLCQJNOVOSIE-DOTOQJQBSA-N 1 1 375.563 3.582 10 0 GHAEMO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(Br)c(C)c1 ZINC000180774766 883098389 /nfs/dbraw/zinc/09/83/89/883098389.db2.gz YWJHZAQWDQBOAY-IUODEOHRSA-N 1 1 379.302 3.681 10 0 GHAEMO CN(CC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1)C(=O)OC(C)(C)C ZINC000103494673 881223053 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GHAEMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192569784 884281956 /nfs/dbraw/zinc/28/19/56/884281956.db2.gz BFBOZDBSQUCHEW-UHFFFAOYSA-N 1 1 375.900 3.560 10 0 GHAEMO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000102694482 885973093 /nfs/dbraw/zinc/97/30/93/885973093.db2.gz CHJCHQITCCMYSD-UHFFFAOYSA-N 1 1 383.883 3.509 10 0 GHAEMO Cc1nc2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)ccc2o1 ZINC000116568965 886368458 /nfs/dbraw/zinc/36/84/58/886368458.db2.gz IEYQHIVXCJJEEQ-KSSFIOAISA-N 1 1 379.464 3.563 10 0 GHAEMO C[C@@H](OCCCNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000123359543 886626865 /nfs/dbraw/zinc/62/68/65/886626865.db2.gz BKPMRNGQHRDMNT-GOSISDBHSA-N 1 1 384.524 3.552 10 0 GHAEMO CC(C)Oc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1Cl ZINC000124615834 886774843 /nfs/dbraw/zinc/77/48/43/886774843.db2.gz DQNZGKHDLQYJJR-OAHLLOKOSA-N 1 1 395.931 3.844 10 0 GHAEMO CCCOc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1Cl ZINC000124866908 886805219 /nfs/dbraw/zinc/80/52/19/886805219.db2.gz KTRCYHMVMNNTCY-OAHLLOKOSA-N 1 1 395.931 3.846 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000126335384 886958671 /nfs/dbraw/zinc/95/86/71/886958671.db2.gz UNLCLHDIFWIHGP-ACJLOTCBSA-N 1 1 395.400 3.880 10 0 GHAEMO OCCn1nccc1C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000195508672 888683756 /nfs/dbraw/zinc/68/37/56/888683756.db2.gz UAFMRJCGMYBXEG-UHFFFAOYSA-N 1 1 386.883 3.563 10 0 GHAEMO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000245495913 888797009 /nfs/dbraw/zinc/79/70/09/888797009.db2.gz QKUJPLZTKYSNMJ-CVEARBPZSA-N 1 1 386.496 3.953 10 0 GHAEMO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000245495913 888797016 /nfs/dbraw/zinc/79/70/16/888797016.db2.gz QKUJPLZTKYSNMJ-CVEARBPZSA-N 1 1 386.496 3.953 10 0 GHAEMO O[C@@H](C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1ccccc1C(F)(F)F ZINC000245781904 889713003 /nfs/dbraw/zinc/71/30/03/889713003.db2.gz VDUODJYOLLEXBO-CJNGLKHVSA-N 1 1 380.414 3.614 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000245863926 889881325 /nfs/dbraw/zinc/88/13/25/889881325.db2.gz POTARNOWOGQTEW-LAUBAEHRSA-N 1 1 376.504 3.522 10 0 GHAEMO CCn1c2ccc(F)cc2nc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000066828804 891131719 /nfs/dbraw/zinc/13/17/19/891131719.db2.gz IIOVWDXIZDXSAB-UHFFFAOYSA-N 1 1 386.515 3.810 10 0 GHAEMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccnn3C3CCCC3)cc2)C[C@H](C)O1 ZINC000106031714 891215659 /nfs/dbraw/zinc/21/56/59/891215659.db2.gz DFOGUQXCDUPAKO-IRXDYDNUSA-N 1 1 382.508 3.860 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000072013589 891237296 /nfs/dbraw/zinc/23/72/96/891237296.db2.gz HQHDYUSQNDRLFJ-IBGZPJMESA-N 1 1 378.516 3.530 10 0 GHAEMO Brc1ccc(-c2cnc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)o2)cc1 ZINC000246827163 891312833 /nfs/dbraw/zinc/31/28/33/891312833.db2.gz JZVSCPSMZPZQMO-ZBFHGGJFSA-N 1 1 395.322 3.810 10 0 GHAEMO Brc1ccc(-c2cnc(C[N@H+]3CCS[C@H]4COCC[C@H]43)o2)cc1 ZINC000246827163 891312850 /nfs/dbraw/zinc/31/28/50/891312850.db2.gz JZVSCPSMZPZQMO-ZBFHGGJFSA-N 1 1 395.322 3.810 10 0 GHAEMO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccncc1 ZINC000247000583 891330095 /nfs/dbraw/zinc/33/00/95/891330095.db2.gz LOPHPGFSFISALS-YUXAGFNASA-N 1 1 378.520 3.839 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000246993450 891331083 /nfs/dbraw/zinc/33/10/83/891331083.db2.gz LMLRFHJXYQOZLF-ZPMCFJSWSA-N 1 1 378.520 3.621 10 0 GHAEMO COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247184359 891353186 /nfs/dbraw/zinc/35/31/86/891353186.db2.gz KPOOWBXMNBOEIG-LVCYWYKZSA-N 1 1 381.520 3.611 10 0 GHAEMO C[C@@H](CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000247117445 891371494 /nfs/dbraw/zinc/37/14/94/891371494.db2.gz PMFRHLYPBLVJPJ-HOTGVXAUSA-N 1 1 398.469 3.911 10 0 GHAEMO Cc1ccc(C(=O)CCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000248721595 891461665 /nfs/dbraw/zinc/46/16/65/891461665.db2.gz MDAMDBLKAKDZBY-KNQAVFIVSA-N 1 1 393.531 3.770 10 0 GHAEMO Cc1ccc(C(=O)CCCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000248721595 891461668 /nfs/dbraw/zinc/46/16/68/891461668.db2.gz MDAMDBLKAKDZBY-KNQAVFIVSA-N 1 1 393.531 3.770 10 0 GHAEMO CCS(=O)(=O)CCCCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249066978 891492552 /nfs/dbraw/zinc/49/25/52/891492552.db2.gz KGGZDYVYAHXUOG-FPOVZHCZSA-N 1 1 380.598 3.576 10 0 GHAEMO CCS(=O)(=O)CCCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000249066978 891492558 /nfs/dbraw/zinc/49/25/58/891492558.db2.gz KGGZDYVYAHXUOG-FPOVZHCZSA-N 1 1 380.598 3.576 10 0 GHAEMO CCS(=O)(=O)CCCCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000249066978 891492568 /nfs/dbraw/zinc/49/25/68/891492568.db2.gz KGGZDYVYAHXUOG-FPOVZHCZSA-N 1 1 380.598 3.576 10 0 GHAEMO COCC[N@H+]1CCC[C@@]2(CCN(Cc3c[nH]nc3-c3cc(C)ccc3C)C2)C1 ZINC000012306042 204394209 /nfs/dbraw/zinc/39/42/09/204394209.db2.gz 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Cc1ccc(N2CCC[N@H+]([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)nn1 ZINC000329134040 834425109 /nfs/dbraw/zinc/42/51/09/834425109.db2.gz BOTJDOZWGQSYDI-OAHLLOKOSA-N 1 1 398.898 3.762 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC000246799298 835108540 /nfs/dbraw/zinc/10/85/40/835108540.db2.gz QTDIIEWWCLYVLG-ZHALLVOQSA-N 1 1 376.545 3.633 10 0 GHAEMO c1c2c(sc1-c1nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no1)-c1ccccc1OC2 ZINC000329547669 835212365 /nfs/dbraw/zinc/21/23/65/835212365.db2.gz BACPDTUCRUZJCH-CZUORRHYSA-N 1 1 381.457 3.893 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 ZINC000158178252 835255120 /nfs/dbraw/zinc/25/51/20/835255120.db2.gz KALNPULSFIEFEY-UHFFFAOYSA-N 1 1 386.471 3.835 10 0 GHAEMO Cc1csc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)c1Br ZINC000329665289 835566444 /nfs/dbraw/zinc/56/64/44/835566444.db2.gz KJAVAYYNADFKEV-MEBBXXQBSA-N 1 1 384.299 3.795 10 0 GHAEMO Cc1ccc([C@H]2OCCC[C@@H]2c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000329677016 835654564 /nfs/dbraw/zinc/65/45/64/835654564.db2.gz PVKDBACYPNNOKA-JZJXAQOMSA-N 1 1 383.492 3.939 10 0 GHAEMO Cc1ccc([C@H]2OCCC[C@@H]2c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000329677016 835654570 /nfs/dbraw/zinc/65/45/70/835654570.db2.gz PVKDBACYPNNOKA-JZJXAQOMSA-N 1 1 383.492 3.939 10 0 GHAEMO Brc1ccc([C@@H]2C[C@@H]2c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000329737582 835820685 /nfs/dbraw/zinc/82/06/85/835820685.db2.gz TWECFWYBYHINMF-VGWMRTNUSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1ccc([C@@H]2C[C@@H]2c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000329737582 835820689 /nfs/dbraw/zinc/82/06/89/835820689.db2.gz TWECFWYBYHINMF-VGWMRTNUSA-N 1 1 390.281 3.639 10 0 GHAEMO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CCO[C@H]3CCCCO3)C4)n2)cc1 ZINC000328602660 836502926 /nfs/dbraw/zinc/50/29/26/836502926.db2.gz HCWQWXAVQOXLNE-XQBPLPMBSA-N 1 1 383.492 3.633 10 0 GHAEMO CC[N@H+]1CCC[C@@H](CN(C)Cc2nc3cc(F)ccc3o2)[C@@H]1c1cnn(C)c1 ZINC000328630992 839996584 /nfs/dbraw/zinc/99/65/84/839996584.db2.gz KAIONXRVYIEYNX-YCRPNKLZSA-N 1 1 385.487 3.605 10 0 GHAEMO CCN1CCC[C@@H](C[N@H+](C)Cc2nc3cc(F)ccc3o2)[C@@H]1c1cnn(C)c1 ZINC000328630992 839996591 /nfs/dbraw/zinc/99/65/91/839996591.db2.gz KAIONXRVYIEYNX-YCRPNKLZSA-N 1 1 385.487 3.605 10 0 GHAEMO CCN1CCC[C@@H](C[N@@H+](C)Cc2nc3cc(F)ccc3o2)[C@@H]1c1cnn(C)c1 ZINC000328630992 839996597 /nfs/dbraw/zinc/99/65/97/839996597.db2.gz KAIONXRVYIEYNX-YCRPNKLZSA-N 1 1 385.487 3.605 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000106207134 840760026 /nfs/dbraw/zinc/76/00/26/840760026.db2.gz URGWGCKSNIOYCJ-HOCLYGCPSA-N 1 1 383.521 3.811 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000106207134 840760032 /nfs/dbraw/zinc/76/00/32/840760032.db2.gz URGWGCKSNIOYCJ-HOCLYGCPSA-N 1 1 383.521 3.811 10 0 GHAEMO C[C@H](Sc1ccc(F)c(F)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000105678349 841755433 /nfs/dbraw/zinc/75/54/33/841755433.db2.gz VEGCBTQWSGRKOV-HOCLYGCPSA-N 1 1 376.472 3.836 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(Br)cc3)C2)c1 ZINC000247606179 842964012 /nfs/dbraw/zinc/96/40/12/842964012.db2.gz LSBLKPGNDVRBAI-RHSMWYFYSA-N 1 1 391.313 3.618 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(Br)cc3)C2)c1 ZINC000247606179 842964023 /nfs/dbraw/zinc/96/40/23/842964023.db2.gz LSBLKPGNDVRBAI-RHSMWYFYSA-N 1 1 391.313 3.618 10 0 GHAEMO Cc1ccc2c(C[N@@H+]3CCCN(C(=O)c4cccs4)CC3)cc(=O)oc2c1 ZINC000112351872 843353005 /nfs/dbraw/zinc/35/30/05/843353005.db2.gz AKCHAGFGFTWNSB-UHFFFAOYSA-N 1 1 382.485 3.511 10 0 GHAEMO Cc1ccc2c(C[N@H+]3CCCN(C(=O)c4cccs4)CC3)cc(=O)oc2c1 ZINC000112351872 843353014 /nfs/dbraw/zinc/35/30/14/843353014.db2.gz AKCHAGFGFTWNSB-UHFFFAOYSA-N 1 1 382.485 3.511 10 0 GHAEMO CCS[C@@H]1CC[C@H](N(C)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000151971533 846072758 /nfs/dbraw/zinc/07/27/58/846072758.db2.gz KLKBPWNHJBRMIJ-ZWKOTPCHSA-N 1 1 376.570 3.674 10 0 GHAEMO Cc1cccc2nc(CCC(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)[nH]c21 ZINC000155693430 849603773 /nfs/dbraw/zinc/60/37/73/849603773.db2.gz IVZLVBHPYCDJOA-KRWDZBQOSA-N 1 1 391.519 3.541 10 0 GHAEMO Cc1cc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)ccc1Br ZINC000156455552 849918982 /nfs/dbraw/zinc/91/89/82/849918982.db2.gz CYBNSWLXXLWRKV-UHFFFAOYSA-N 1 1 391.313 3.978 10 0 GHAEMO COc1ccc(-c2nc(C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)cs2)cc1OC ZINC000246730130 852542770 /nfs/dbraw/zinc/54/27/70/852542770.db2.gz GDOYSBNQSAVVFQ-HRAATJIYSA-N 1 1 388.533 3.954 10 0 GHAEMO Cc1cc([C@@H]2CCCN(c3ccnc(N[C@@H]4CCCO[C@@H]4C(C)C)n3)C2)[nH]n1 ZINC000328786070 854556294 /nfs/dbraw/zinc/55/62/94/854556294.db2.gz JACWGZKUGFRMLY-MBOZVWFJSA-N 1 1 384.528 3.508 10 0 GHAEMO Cc1cc([C@@H]2CCCN(c3cc[nH+]c(N[C@@H]4CCCO[C@@H]4C(C)C)n3)C2)n[nH]1 ZINC000328786070 854556301 /nfs/dbraw/zinc/55/63/01/854556301.db2.gz JACWGZKUGFRMLY-MBOZVWFJSA-N 1 1 384.528 3.508 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)C1 ZINC000172460204 860434060 /nfs/dbraw/zinc/43/40/60/860434060.db2.gz FOUXVNDPHACOET-SVFBPWRDSA-N 1 1 382.508 3.712 10 0 GHAEMO O=C(CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000248201141 864896362 /nfs/dbraw/zinc/89/63/62/864896362.db2.gz YSZJQCWQVULBFJ-UGSOOPFHSA-N 1 1 399.304 3.544 10 0 GHAEMO COCc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nc(C(C)(C)C)n1 ZINC000301775779 865532243 /nfs/dbraw/zinc/53/22/43/865532243.db2.gz GMNLXYIDJRHEFR-VQIMIIECSA-N 1 1 383.540 3.638 10 0 GHAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000113230423 866753167 /nfs/dbraw/zinc/75/31/67/866753167.db2.gz QJOOJENKZRNEGC-OXJNMPFZSA-N 1 1 378.476 3.639 10 0 GHAEMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H](c4nccs4)C3)cc2)C[C@@H](C)O1 ZINC000171643639 882119700 /nfs/dbraw/zinc/11/97/00/882119700.db2.gz LTUYLJMZSYCAER-HLIPFELVSA-N 1 1 399.560 3.772 10 0 GHAEMO CSc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000172179782 882175965 /nfs/dbraw/zinc/17/59/65/882175965.db2.gz GISIRZCLUHCKSM-UZLBHIALSA-N 1 1 384.549 3.513 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1cccc2ccccc21 ZINC000172013234 882182732 /nfs/dbraw/zinc/18/27/32/882182732.db2.gz PDGODOJHFXTMMO-GCJKJVERSA-N 1 1 389.499 3.640 10 0 GHAEMO O=C(CN1CCC[N@H+](C2CC2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000172348135 882185119 /nfs/dbraw/zinc/18/51/19/882185119.db2.gz INXVHJLWWUKVHT-UHFFFAOYSA-N 1 1 376.715 3.755 10 0 GHAEMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[N@H+](C2CC2)CC1 ZINC000172347492 882185863 /nfs/dbraw/zinc/18/58/63/882185863.db2.gz DHRVHDWRSVTTBW-GFCCVEGCSA-N 1 1 389.849 3.856 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2)[nH+]c1 ZINC000174774268 882502634 /nfs/dbraw/zinc/50/26/34/882502634.db2.gz VSXFDHZZRFHYLC-UHFFFAOYSA-N 1 1 393.491 3.529 10 0 GHAEMO COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000175191550 882556650 /nfs/dbraw/zinc/55/66/50/882556650.db2.gz DYCJTSRRCNXRSR-OAHLLOKOSA-N 1 1 386.471 3.567 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)C2)CC1 ZINC000175994791 882653846 /nfs/dbraw/zinc/65/38/46/882653846.db2.gz QKDTXRYAZPPNBV-SMIHKQSGSA-N 1 1 391.559 3.572 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(Cl)cc1F ZINC000116475847 873513418 /nfs/dbraw/zinc/51/34/18/873513418.db2.gz CTMSMDUKGRDGJB-GUYCJALGSA-N 1 1 376.863 3.906 10 0 GHAEMO Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)c2c1 ZINC000176796108 882734036 /nfs/dbraw/zinc/73/40/36/882734036.db2.gz RCVCWSGPCAHZPL-KRWDZBQOSA-N 1 1 393.531 3.746 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CCc3ccc(OC(F)F)cc3)CC2)[nH+]1 ZINC000116667512 873614385 /nfs/dbraw/zinc/61/43/85/873614385.db2.gz KGDZIRSGQJKITR-UHFFFAOYSA-N 1 1 389.446 3.709 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CCCc3c[nH]c4ccccc34)CC2)[nH+]1 ZINC000116670763 873616078 /nfs/dbraw/zinc/61/60/78/873616078.db2.gz MXWUMSNFXGOTNF-UHFFFAOYSA-N 1 1 376.504 3.979 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)CCCc3ccc4ccccc4c3)CC2)CCO1 ZINC000180569843 883081119 /nfs/dbraw/zinc/08/11/19/883081119.db2.gz LYFGAVRMXLMREF-IBGZPJMESA-N 1 1 380.532 3.874 10 0 GHAEMO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(Br)c(C)c1 ZINC000180774799 883098761 /nfs/dbraw/zinc/09/87/61/883098761.db2.gz YWJHZAQWDQBOAY-DOMZBBRYSA-N 1 1 379.302 3.681 10 0 GHAEMO C[C@@H](SCC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1nc2ccccc2[nH]1 ZINC000121953370 878067357 /nfs/dbraw/zinc/06/73/57/878067357.db2.gz SNOKYCGEDZDHCJ-OAHLLOKOSA-N 1 1 397.548 3.572 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000122180151 878417544 /nfs/dbraw/zinc/41/75/44/878417544.db2.gz SHTZUFPJURBSJI-SGTLLEGYSA-N 1 1 379.838 3.654 10 0 GHAEMO CCC(CC)[C@@H]1C[C@@H](NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCO1 ZINC000181133096 883148971 /nfs/dbraw/zinc/14/89/71/883148971.db2.gz ROGVSATZMNHENQ-PMACEKPBSA-N 1 1 388.556 3.642 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000185296088 883432565 /nfs/dbraw/zinc/43/25/65/883432565.db2.gz NJULUKDMTPDRGQ-UHFFFAOYSA-N 1 1 398.507 3.707 10 0 GHAEMO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186064896 883607598 /nfs/dbraw/zinc/60/75/98/883607598.db2.gz IOZJIVKOMRRSFJ-MRXNPFEDSA-N 1 1 376.460 3.659 10 0 GHAEMO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186058480 883607745 /nfs/dbraw/zinc/60/77/45/883607745.db2.gz PJWMYYGICIDXMK-MRXNPFEDSA-N 1 1 376.460 3.659 10 0 GHAEMO C[C@H](OCCCNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000123359268 886626091 /nfs/dbraw/zinc/62/60/91/886626091.db2.gz BKPMRNGQHRDMNT-SFHVURJKSA-N 1 1 384.524 3.552 10 0 GHAEMO COc1ccc([C@@H](C)CCNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000128168341 887152659 /nfs/dbraw/zinc/15/26/59/887152659.db2.gz XVUBELKWVCYDIQ-KRWDZBQOSA-N 1 1 384.524 3.587 10 0 GHAEMO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@@H](O)c4nccn4C)C3)s2)cc1 ZINC000245698254 889266450 /nfs/dbraw/zinc/26/64/50/889266450.db2.gz BGNOYCWLMFUJCJ-PKOBYXMFSA-N 1 1 382.533 3.798 10 0 GHAEMO Cc1cc(CN(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000245706021 889335970 /nfs/dbraw/zinc/33/59/70/889335970.db2.gz OFWBHYYGMJDNRB-KSSFIOAISA-N 1 1 394.878 3.610 10 0 GHAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccccc2OC(F)F)cn1 ZINC000065727944 889961792 /nfs/dbraw/zinc/96/17/92/889961792.db2.gz LNQILLCDQZMWMF-VQHVLOKHSA-N 1 1 384.386 3.507 10 0 GHAEMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246131285 890444674 /nfs/dbraw/zinc/44/46/74/890444674.db2.gz XWQWQBZDRGBJJS-DLBZAZTESA-N 1 1 381.524 3.943 10 0 GHAEMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246131285 890444684 /nfs/dbraw/zinc/44/46/84/890444684.db2.gz XWQWQBZDRGBJJS-DLBZAZTESA-N 1 1 381.524 3.943 10 0 GHAEMO CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246198537 890669621 /nfs/dbraw/zinc/66/96/21/890669621.db2.gz MUUDSDDULFLKCT-PTUXOGIPSA-N 1 1 394.563 3.955 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)CCO1 ZINC000066561485 891124261 /nfs/dbraw/zinc/12/42/61/891124261.db2.gz 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C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000246678867 891297937 /nfs/dbraw/zinc/29/79/37/891297937.db2.gz QIKDXMGNNBRJQM-IIBYNOLFSA-N 1 1 392.503 3.633 10 0 GHAEMO C[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000246786989 891307458 /nfs/dbraw/zinc/30/74/58/891307458.db2.gz QJTHAYQXTWIHAE-XLIONFOSSA-N 1 1 395.503 3.599 10 0 GHAEMO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000246786989 891307476 /nfs/dbraw/zinc/30/74/76/891307476.db2.gz QJTHAYQXTWIHAE-XLIONFOSSA-N 1 1 395.503 3.599 10 0 GHAEMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1F ZINC000246803699 891308951 /nfs/dbraw/zinc/30/89/51/891308951.db2.gz BDUUBNDCLURSGM-QEEYODRMSA-N 1 1 388.462 3.631 10 0 GHAEMO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000246867955 891318107 /nfs/dbraw/zinc/31/81/07/891318107.db2.gz FJKIIEUQVGXHPR-OXQOHEQNSA-N 1 1 399.922 3.725 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000246867955 891318126 /nfs/dbraw/zinc/31/81/26/891318126.db2.gz FJKIIEUQVGXHPR-OXQOHEQNSA-N 1 1 399.922 3.725 10 0 GHAEMO CCOc1ccc(OC)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246880844 891318659 /nfs/dbraw/zinc/31/86/59/891318659.db2.gz FZOUOLCMAKUOLD-VQIMIIECSA-N 1 1 398.507 3.521 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246919790 891323517 /nfs/dbraw/zinc/32/35/17/891323517.db2.gz HUMJPAQTEZNMEX-CBZIJGRNSA-N 1 1 398.473 3.712 10 0 GHAEMO O[C@H](C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1C(F)(F)F ZINC000246998757 891329991 /nfs/dbraw/zinc/32/99/91/891329991.db2.gz IKZUNXFPRAWBIO-RHSMWYFYSA-N 1 1 390.409 3.661 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000247309932 891364950 /nfs/dbraw/zinc/36/49/50/891364950.db2.gz VVEBXVJECJZLPL-DYESRHJHSA-N 1 1 381.495 3.669 10 0 GHAEMO CC(C)Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1C(F)F ZINC000248049254 891407670 /nfs/dbraw/zinc/40/76/70/891407670.db2.gz NPQZDUBMAPBSRL-IRXDYDNUSA-N 1 1 376.451 3.652 10 0 GHAEMO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248136098 891412418 /nfs/dbraw/zinc/41/24/18/891412418.db2.gz XMVWLVZARNUZKI-PXNSSMCTSA-N 1 1 381.501 3.816 10 0 GHAEMO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(-c2ccccc2)o1 ZINC000248423176 891434749 /nfs/dbraw/zinc/43/47/49/891434749.db2.gz DOUUJNJUXMDZKO-UZLBHIALSA-N 1 1 390.487 3.685 10 0 GHAEMO CO[C@H](C)C[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000248439102 891436786 /nfs/dbraw/zinc/43/67/86/891436786.db2.gz UAMKKTRYZIQAQV-DOMZBBRYSA-N 1 1 380.286 3.595 10 0 GHAEMO CO[C@H](C)C[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000248439102 891436797 /nfs/dbraw/zinc/43/67/97/891436797.db2.gz UAMKKTRYZIQAQV-DOMZBBRYSA-N 1 1 380.286 3.595 10 0 GHAEMO O=C1O[C@@H](C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)CC12CCC2 ZINC000248812053 891471778 /nfs/dbraw/zinc/47/17/78/891471778.db2.gz CUPYIWGOGVWHSC-DOTOQJQBSA-N 1 1 385.439 3.541 10 0 GHAEMO CCOCCC[N@H+]1CC[C@@H](NCc2ncc(-c3ccccc3F)o2)[C@@H](C)C1 ZINC000249391897 891504956 /nfs/dbraw/zinc/50/49/56/891504956.db2.gz RYJFGQHRGHOSSO-QFBILLFUSA-N 1 1 375.488 3.707 10 0 GHAEMO Cc1cc(Br)c(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)s1 ZINC000333760336 902315459 /nfs/dbraw/zinc/31/54/59/902315459.db2.gz COCJUKOQGSISLU-IAQYHMDHSA-N 1 1 384.299 3.795 10 0 GHAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C2 ZINC000004321619 204038009 /nfs/dbraw/zinc/03/80/09/204038009.db2.gz KWUDBXYHMNFFKY-PBINXNQUSA-N 1 1 383.728 3.550 10 0 GHAEMO Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)c1ccc(C[NH+](C)C)o1 ZINC000012193574 204381066 /nfs/dbraw/zinc/38/10/66/204381066.db2.gz XKRSTUMIPSUWEM-HNNXBMFYSA-N 1 1 399.539 3.700 10 0 GHAEMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)(C)C)s1 ZINC000036101376 205005965 /nfs/dbraw/zinc/00/59/65/205005965.db2.gz ZOQQKDVERRNVGL-KRWDZBQOSA-N 1 1 391.533 3.963 10 0 GHAEMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1CC1CCCCC1 ZINC000012122014 221153986 /nfs/dbraw/zinc/15/39/86/221153986.db2.gz QINDYGBVCRJBJU-XLIONFOSSA-N 1 1 398.576 3.957 10 0 GHAEMO COc1cc(Cl)c(C)cc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000156555078 834434765 /nfs/dbraw/zinc/43/47/65/834434765.db2.gz SLBDERWKSHKHTE-UHFFFAOYSA-N 1 1 376.888 3.877 10 0 GHAEMO COc1ccccc1C[C@H](C)CC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000157878485 835125112 /nfs/dbraw/zinc/12/51/12/835125112.db2.gz IXELHKJVSWLWEF-SFHVURJKSA-N 1 1 381.520 3.753 10 0 GHAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000329613658 835390841 /nfs/dbraw/zinc/39/08/41/835390841.db2.gz CTVIUHSWDSUGBN-KKSFZXQISA-N 1 1 395.478 3.777 10 0 GHAEMO C[C@@H]1CCc2c(sc3nc(C[N@@H+]4CC[C@@]5(O)CCCC[C@H]5C4)nc(N)c23)C1 ZINC000245542274 844080686 /nfs/dbraw/zinc/08/06/86/844080686.db2.gz RESGSHDMCVBQNQ-YPENRWOSSA-N 1 1 386.565 3.525 10 0 GHAEMO C[C@@H]1CCc2c(sc3nc(C[N@H+]4CC[C@@]5(O)CCCC[C@H]5C4)nc(N)c23)C1 ZINC000245542274 844080693 /nfs/dbraw/zinc/08/06/93/844080693.db2.gz RESGSHDMCVBQNQ-YPENRWOSSA-N 1 1 386.565 3.525 10 0 GHAEMO Cc1cc([C@H]2CCCN(C(=O)NC[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)[nH]n1 ZINC000332743423 836531192 /nfs/dbraw/zinc/53/11/92/836531192.db2.gz ORIBHZQLZVYCFC-LEWJYISDSA-N 1 1 395.551 3.662 10 0 GHAEMO Cc1cc([C@H]2CCCN(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)n[nH]1 ZINC000332743423 836531198 /nfs/dbraw/zinc/53/11/98/836531198.db2.gz ORIBHZQLZVYCFC-LEWJYISDSA-N 1 1 395.551 3.662 10 0 GHAEMO Cc1cc([C@H]2CCCN(C(=O)NC[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)n[nH]1 ZINC000332743423 836531205 /nfs/dbraw/zinc/53/12/05/836531205.db2.gz ORIBHZQLZVYCFC-LEWJYISDSA-N 1 1 395.551 3.662 10 0 GHAEMO Cc1cc([C@H]2CCCN(C(=O)[C@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)C2)[nH]n1 ZINC000328707917 839065909 /nfs/dbraw/zinc/06/59/09/839065909.db2.gz ZSDBZYICRLGATM-IMSXRSKXSA-N 1 1 392.547 3.726 10 0 GHAEMO Cc1cc([C@H]2CCCN(C(=O)[C@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)C2)n[nH]1 ZINC000328707917 839065920 /nfs/dbraw/zinc/06/59/20/839065920.db2.gz ZSDBZYICRLGATM-IMSXRSKXSA-N 1 1 392.547 3.726 10 0 GHAEMO Cc1cc([C@H]2CCCN(C(=O)[C@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)C2)n[nH]1 ZINC000328707917 839065923 /nfs/dbraw/zinc/06/59/23/839065923.db2.gz ZSDBZYICRLGATM-IMSXRSKXSA-N 1 1 392.547 3.726 10 0 GHAEMO Cc1cc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000329384576 861358489 /nfs/dbraw/zinc/35/84/89/861358489.db2.gz RRUWHPXPIZYTEY-MRXNPFEDSA-N 1 1 393.413 3.511 10 0 GHAEMO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3nnc(Cc4ccccc4C)o3)C2)c1 ZINC000151085584 845144844 /nfs/dbraw/zinc/14/48/44/845144844.db2.gz CPBYKNBLOFBTLO-SFHVURJKSA-N 1 1 393.487 3.976 10 0 GHAEMO COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3nnc(Cc4ccccc4C)o3)C2)c1 ZINC000151085584 845144856 /nfs/dbraw/zinc/14/48/56/845144856.db2.gz CPBYKNBLOFBTLO-SFHVURJKSA-N 1 1 393.487 3.976 10 0 GHAEMO CCS[C@@H]1CC[C@@H](N(C)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000151971687 846073219 /nfs/dbraw/zinc/07/32/19/846073219.db2.gz KLKBPWNHJBRMIJ-QZTJIDSGSA-N 1 1 376.570 3.674 10 0 GHAEMO Cc1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)ccc1Br ZINC000329615607 861778705 /nfs/dbraw/zinc/77/87/05/861778705.db2.gz SFSBPHCLJJLGMY-YOEHRIQHSA-N 1 1 378.270 3.733 10 0 GHAEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000102343029 854341143 /nfs/dbraw/zinc/34/11/43/854341143.db2.gz AEMTWJRCKDNXHT-OAHLLOKOSA-N 1 1 381.358 3.963 10 0 GHAEMO C[C@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(F)c(Cl)c1 ZINC000125360034 854704903 /nfs/dbraw/zinc/70/49/03/854704903.db2.gz AWQXNZYQIODCLH-ZDUSSCGKSA-N 1 1 378.879 3.938 10 0 GHAEMO Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2cc(C)c3ccc(C)cc3[nH+]2)CC(=O)N1C ZINC000330135735 862604408 /nfs/dbraw/zinc/60/44/08/862604408.db2.gz MYBHJDHVPOQGRW-XMSQKQJNSA-N 1 1 377.492 3.586 10 0 GHAEMO Cc1cc([C@@H]2CCCN2C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)on1 ZINC000067569879 856555126 /nfs/dbraw/zinc/55/51/26/856555126.db2.gz IFTHPKOTLSMZDZ-UXHICEINSA-N 1 1 382.508 3.884 10 0 GHAEMO O[C@]12CCCC[C@H]1C[N@H+](Cc1nc(-c3ccc(Br)s3)no1)CC2 ZINC000248215274 864955651 /nfs/dbraw/zinc/95/56/51/864955651.db2.gz ZNKOCAKTKRILIF-ZBEGNZNMSA-N 1 1 398.326 3.688 10 0 GHAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1nc(-c3ccc(Br)s3)no1)CC2 ZINC000248215274 864955656 /nfs/dbraw/zinc/95/56/56/864955656.db2.gz ZNKOCAKTKRILIF-ZBEGNZNMSA-N 1 1 398.326 3.688 10 0 GHAEMO C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000173456943 865652512 /nfs/dbraw/zinc/65/25/12/865652512.db2.gz MUMSSQOAFSDJLX-SFHVURJKSA-N 1 1 381.524 3.593 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Nc3cc4c(cc3Cl)OCO4)CC2)[nH+]1 ZINC000172100598 882168965 /nfs/dbraw/zinc/16/89/65/882168965.db2.gz VLHCKAVBXBUUTA-UHFFFAOYSA-N 1 1 388.855 3.563 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N3CCc4[nH]c5ccccc5c4C3)CC2)[nH+]1 ZINC000172140988 882171613 /nfs/dbraw/zinc/17/16/13/882171613.db2.gz FJKWVYSEDWERSR-UHFFFAOYSA-N 1 1 389.503 3.608 10 0 GHAEMO C[C@H](CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccccc1C(F)(F)F ZINC000172913505 882322914 /nfs/dbraw/zinc/32/29/14/882322914.db2.gz ALKNCHRNNXXXST-HZPDHXFCSA-N 1 1 398.469 3.911 10 0 GHAEMO CCCn1ccc2ccc(NC(=O)N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)cc21 ZINC000173468448 882363475 /nfs/dbraw/zinc/36/34/75/882363475.db2.gz WVVSBCDHJVFZGU-KRWDZBQOSA-N 1 1 384.524 3.768 10 0 GHAEMO CCCOc1ccc(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000173516920 882375097 /nfs/dbraw/zinc/37/50/97/882375097.db2.gz HQXWIPGXBQQRJD-CVDCTZTESA-N 1 1 395.547 3.830 10 0 GHAEMO O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000104987161 870608515 /nfs/dbraw/zinc/60/85/15/870608515.db2.gz KTKNJSUGPSIYHC-HNNXBMFYSA-N 1 1 393.413 3.593 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Nc3ccccc3N3CCCC3)CC2)[nH+]c1 ZINC000174589577 882484201 /nfs/dbraw/zinc/48/42/01/882484201.db2.gz YNMULNMAJVEVJF-UHFFFAOYSA-N 1 1 379.508 3.781 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Nc3cc4c(cc3Cl)OCO4)CC2)[nH+]c1 ZINC000174753738 882501144 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SVYUGAUWXWAJIH-OAQYLSRUSA-N 1 1 396.531 3.884 10 0 GHAEMO COc1cc2c(cc1OC)[C@@H](CNC(=O)C(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034857487 570341959 /nfs/dbraw/zinc/34/19/59/570341959.db2.gz SVYUGAUWXWAJIH-OAQYLSRUSA-N 1 1 396.531 3.884 10 0 GHAEMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)cc1CO ZINC000015064185 570723347 /nfs/dbraw/zinc/72/33/47/570723347.db2.gz AIZWLCRYRJNRPB-FQEVSTJZSA-N 1 1 398.503 3.771 10 0 GHAEMO Cc1nonc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000023231544 570989710 /nfs/dbraw/zinc/98/97/10/570989710.db2.gz LIXASQRMLJSOEC-QFIPXVFZSA-N 1 1 382.508 3.630 10 0 GHAEMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113231494 837822497 /nfs/dbraw/zinc/82/24/97/837822497.db2.gz LOMHDHQWBBMXRL-DOTOQJQBSA-N 1 1 397.567 3.927 10 0 GHAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000246927024 835135597 /nfs/dbraw/zinc/13/55/97/835135597.db2.gz APZYHZSDMLNNDY-WMLDXEAASA-N 1 1 389.931 3.596 10 0 GHAEMO 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C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1Br ZINC000102683968 860838976 /nfs/dbraw/zinc/83/89/76/860838976.db2.gz MOCNVDSOKUWEJV-CXAGYDPISA-N 1 1 389.293 3.740 10 0 GHAEMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000104710086 864553272 /nfs/dbraw/zinc/55/32/72/864553272.db2.gz DDRYFJMBJCAOSQ-AWEZNQCLSA-N 1 1 378.419 3.798 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Nc3cccc(OC(F)F)c3)CC2)[nH+]c1 ZINC000174977465 882510538 /nfs/dbraw/zinc/51/05/38/882510538.db2.gz NQVWHCKKZZUWRI-UHFFFAOYSA-N 1 1 376.407 3.782 10 0 GHAEMO CCC(=O)Nc1ccc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000175129177 882526480 /nfs/dbraw/zinc/52/64/80/882526480.db2.gz JUKCACSBFOHFFX-UHFFFAOYSA-N 1 1 381.480 3.529 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)[C@@H]3C[C@@H]3c3cccc4ccccc43)C2)CC1 ZINC000175988339 882653962 /nfs/dbraw/zinc/65/39/62/882653962.db2.gz QQDLWQIZDUDQCH-AGILITTLSA-N 1 1 391.559 3.572 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000116484680 873514411 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377.492 3.687 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCc1cc2ccccc2o1 ZINC000120576365 876111633 /nfs/dbraw/zinc/11/16/33/876111633.db2.gz IYDCJIOMOZMAHF-UWJYYQICSA-N 1 1 392.503 3.580 10 0 GHAEMO Cc1nc(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c(-c2ccccc2)o1 ZINC000184974540 883409151 /nfs/dbraw/zinc/40/91/51/883409151.db2.gz NEYHZIFLAVJISB-UHFFFAOYSA-N 1 1 376.460 3.752 10 0 GHAEMO Cc1oc2ccc(NC(=O)N3CCCC[C@H](N4CC[NH+](C)CC4)C3)cc2c1C ZINC000186460685 883648272 /nfs/dbraw/zinc/64/82/72/883648272.db2.gz YGQVVEHVPOQWCC-IBGZPJMESA-N 1 1 384.524 3.683 10 0 GHAEMO CCc1ccc2c(C[N@@H+]3CCCN(C(=O)c4cccs4)CC3)cc(=O)oc2c1 ZINC000112352109 886259903 /nfs/dbraw/zinc/25/99/03/886259903.db2.gz HFYMOFKCIYOVMB-UHFFFAOYSA-N 1 1 396.512 3.765 10 0 GHAEMO CCc1ccc2c(C[N@H+]3CCCN(C(=O)c4cccs4)CC3)cc(=O)oc2c1 ZINC000112352109 886259920 /nfs/dbraw/zinc/25/99/20/886259920.db2.gz HFYMOFKCIYOVMB-UHFFFAOYSA-N 1 1 396.512 3.765 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000116252957 886357750 /nfs/dbraw/zinc/35/77/50/886357750.db2.gz HGXWIRYCSAIENX-GCJKJVERSA-N 1 1 390.531 3.912 10 0 GHAEMO COc1cc(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)ccc1OC(C)C ZINC000124226673 886721167 /nfs/dbraw/zinc/72/11/67/886721167.db2.gz KGLDXYOUPKHPRB-UHFFFAOYSA-N 1 1 383.492 3.585 10 0 GHAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000125189996 886837208 /nfs/dbraw/zinc/83/72/08/886837208.db2.gz PORYDJMWFLEOTI-NRFANRHFSA-N 1 1 392.547 3.987 10 0 GHAEMO CCCN(CCc1ccccn1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000105149929 887719019 /nfs/dbraw/zinc/71/90/19/887719019.db2.gz HYKJJGVOERMYJV-JOCHJYFZSA-N 1 1 380.536 3.710 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3cnn(CC(C)C)c3C(F)F)CC2)[nH+]c1 ZINC000135622143 888252774 /nfs/dbraw/zinc/25/27/74/888252774.db2.gz DNWGTLHEKRAKBD-UHFFFAOYSA-N 1 1 391.466 3.579 10 0 GHAEMO CCN(CC)C(=O)c1cccc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000194102189 888558743 /nfs/dbraw/zinc/55/87/43/888558743.db2.gz HWQNBSBLNZOHOK-UHFFFAOYSA-N 1 1 394.519 3.727 10 0 GHAEMO CCOC(=O)Nc1ccc2c(CNc3ccc4c(c3)C[N@H+](C)C4)cc(=O)oc2c1 ZINC000194518588 888609392 /nfs/dbraw/zinc/60/93/92/888609392.db2.gz UAQNCMOWPDFDLN-UHFFFAOYSA-N 1 1 393.443 3.919 10 0 GHAEMO C[N@H+]1CC[C@@H](CNC(=O)CCc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245758244 889656477 /nfs/dbraw/zinc/65/64/77/889656477.db2.gz YWKCNDUGRGXVHM-OXJNMPFZSA-N 1 1 375.875 3.616 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3C[C@H]3c3cccc4ccccc43)CC2)CCO1 ZINC000245943062 890053912 /nfs/dbraw/zinc/05/39/12/890053912.db2.gz VSJNIWDEKZNWCM-VSDWSMLSSA-N 1 1 378.516 3.655 10 0 GHAEMO C[C@@H]1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC[N@H+]1Cc1ccccc1 ZINC000245961033 890085555 /nfs/dbraw/zinc/08/55/55/890085555.db2.gz XMUJBYHCFIQHRF-VQIMIIECSA-N 1 1 385.533 3.731 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)CC2)CCO1 ZINC000246427960 891236864 /nfs/dbraw/zinc/23/68/64/891236864.db2.gz MNZQNTIOQYASCA-IERDGZPVSA-N 1 1 389.515 3.562 10 0 GHAEMO CCOc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OC ZINC000246838039 891313463 /nfs/dbraw/zinc/31/34/63/891313463.db2.gz CUKCHMPVYCRYST-APWZRJJASA-N 1 1 398.507 3.521 10 0 GHAEMO C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247044299 891338054 /nfs/dbraw/zinc/33/80/54/891338054.db2.gz YDMKMMNRHRHNIY-JBYIUTFZSA-N 1 1 383.511 3.816 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000247051852 891338509 /nfs/dbraw/zinc/33/85/09/891338509.db2.gz AZQUJJGWXIDOFI-HNAYVOBHSA-N 1 1 389.952 3.854 10 0 GHAEMO Cc1cc(OC(F)F)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247152748 891349571 /nfs/dbraw/zinc/34/95/71/891349571.db2.gz INANIOBPDVVWBD-DOMZBBRYSA-N 1 1 395.475 3.693 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000247176602 891351464 /nfs/dbraw/zinc/35/14/64/891351464.db2.gz JYACRFGHAFJHLM-OXJNMPFZSA-N 1 1 383.923 3.793 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000247449877 891377207 /nfs/dbraw/zinc/37/72/07/891377207.db2.gz OVCQVIBCVGYKIO-IAELRNJOSA-N 1 1 389.543 3.702 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000247555873 891384425 /nfs/dbraw/zinc/38/44/25/891384425.db2.gz TYYUVRXYUCDNIH-HTAPYJJXSA-N 1 1 396.510 3.805 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCC[C@H]1c1ccccc1 ZINC000247573942 891388408 /nfs/dbraw/zinc/38/84/08/891388408.db2.gz XESBZJPLHVYBBK-QIJUGHKUSA-N 1 1 378.520 3.839 10 0 GHAEMO FC(F)(F)Cn1ccnc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248146007 891412847 /nfs/dbraw/zinc/41/28/47/891412847.db2.gz QEBRYKACWXAFFY-RBUKOAKNSA-N 1 1 392.469 3.932 10 0 GHAEMO COc1ccc([C@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1NC(C)=O ZINC000248907205 891480104 /nfs/dbraw/zinc/48/01/04/891480104.db2.gz UYPJOOSQTCJTJL-PNLZDCPESA-N 1 1 381.520 3.825 10 0 GHAEMO COc1ccc([C@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1NC(C)=O ZINC000248907205 891480114 /nfs/dbraw/zinc/48/01/14/891480114.db2.gz UYPJOOSQTCJTJL-PNLZDCPESA-N 1 1 381.520 3.825 10 0 GHAEMO COc1ccc(/C=C(\C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1F ZINC000252952260 891792992 /nfs/dbraw/zinc/79/29/92/891792992.db2.gz NJADZAVQFZUKBF-UGZQKDQTSA-N 1 1 397.494 3.659 10 0 GHAEMO CCn1c2nnc(C[NH2+][C@H](C)c3cccc(Cl)c3)n2c2ccccc2c1=O ZINC000102686272 898023146 /nfs/dbraw/zinc/02/31/46/898023146.db2.gz OHTMTIJYSYPUDK-CYBMUJFWSA-N 1 1 381.867 3.568 10 0 GHAEMO O=c1[nH]c2cc(Cl)ccc2n1C1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000006117407 204165730 /nfs/dbraw/zinc/16/57/30/204165730.db2.gz WFJWTVCUKPPEOR-INIZCTEOSA-N 1 1 399.878 3.872 10 0 in-man GHAEMO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1nccs1)CC2 ZINC000247905248 206136330 /nfs/dbraw/zinc/13/63/30/206136330.db2.gz WWVYBGXXULLEBX-INIZCTEOSA-N 1 1 377.579 3.565 10 0 GHAEMO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000105991828 837673791 /nfs/dbraw/zinc/67/37/91/837673791.db2.gz IHOFEFDWDDEYIN-DYVFJYSZSA-N 1 1 383.439 3.775 10 0 GHAEMO Cc1cc(C)n(-c2ccccc2NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000156925631 834647851 /nfs/dbraw/zinc/64/78/51/834647851.db2.gz JFCKCCYGMZMHIV-UHFFFAOYSA-N 1 1 392.507 3.709 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000158019419 835193141 /nfs/dbraw/zinc/19/31/41/835193141.db2.gz MNUGHDXGBIADBO-UHFFFAOYSA-N 1 1 395.276 3.808 10 0 GHAEMO Brc1ccc2oc(-c3nc([C@H]4C[N@H+]5CCC[C@@H]5CO4)no3)cc2c1 ZINC000329592596 835315009 /nfs/dbraw/zinc/31/50/09/835315009.db2.gz BZUMTRFTOSKKFU-IUODEOHRSA-N 1 1 390.237 3.781 10 0 GHAEMO Brc1cccc([C@@H]2C[C@@H]2c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1 ZINC000329739003 835821434 /nfs/dbraw/zinc/82/14/34/835821434.db2.gz UQQMIRQDEKPSGN-YHUYYLMFSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1cccc([C@@H]2C[C@@H]2c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)c1 ZINC000329739003 835821441 /nfs/dbraw/zinc/82/14/41/835821441.db2.gz UQQMIRQDEKPSGN-YHUYYLMFSA-N 1 1 390.281 3.639 10 0 GHAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000120737098 840193215 /nfs/dbraw/zinc/19/32/15/840193215.db2.gz MEIKYNCPGJDXPW-UKRRQHHQSA-N 1 1 392.931 3.569 10 0 GHAEMO CCc1nc(C[NH+]2CCC(CNC(=O)[C@@]3(C)CC3(Cl)Cl)CC2)cs1 ZINC000111043810 840611175 /nfs/dbraw/zinc/61/11/75/840611175.db2.gz SZJACIXQTOHKEK-MRXNPFEDSA-N 1 1 390.380 3.618 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000188825909 841066559 /nfs/dbraw/zinc/06/65/59/841066559.db2.gz ZTTKXXSNWALCDK-UHFFFAOYSA-N 1 1 389.459 3.651 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118077431 843153541 /nfs/dbraw/zinc/15/35/41/843153541.db2.gz CHFQTXWWCAHYHT-XLIONFOSSA-N 1 1 396.560 3.852 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000162456061 843256078 /nfs/dbraw/zinc/25/60/78/843256078.db2.gz HWAVZKBBCPZWCL-UHFFFAOYSA-N 1 1 383.883 3.559 10 0 GHAEMO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162578859 843269670 /nfs/dbraw/zinc/26/96/70/843269670.db2.gz GMQLXGCSGIJZHU-UHFFFAOYSA-N 1 1 394.544 3.871 10 0 GHAEMO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000408226531 843340799 /nfs/dbraw/zinc/34/07/99/843340799.db2.gz QBHUXQRUDAANET-ZBFHGGJFSA-N 1 1 377.916 3.633 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000246696637 849866250 /nfs/dbraw/zinc/86/62/50/849866250.db2.gz FOUXVNDPHACOET-SBHAEUEKSA-N 1 1 382.508 3.712 10 0 GHAEMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C)c(OC)c(C)c2)c1 ZINC000101566421 851665962 /nfs/dbraw/zinc/66/59/62/851665962.db2.gz QKNGQYNFBAIHIX-MRXNPFEDSA-N 1 1 386.492 3.788 10 0 GHAEMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)c1 ZINC000101566421 851665968 /nfs/dbraw/zinc/66/59/68/851665968.db2.gz QKNGQYNFBAIHIX-MRXNPFEDSA-N 1 1 386.492 3.788 10 0 GHAEMO CCc1nc(NC(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)sc1C ZINC000190504591 855474999 /nfs/dbraw/zinc/47/49/99/855474999.db2.gz MFRBZQHRPIJKNH-CQSZACIVSA-N 1 1 393.582 3.765 10 0 GHAEMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c12 ZINC000195056633 860372337 /nfs/dbraw/zinc/37/23/37/860372337.db2.gz SJKOQCVUJYEKHU-QGZVFWFLSA-N 1 1 397.567 3.928 10 0 GHAEMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2Br)c1 ZINC000102695710 860819477 /nfs/dbraw/zinc/81/94/77/860819477.db2.gz RBGSGKCHMLPPFM-LBPRGKRZSA-N 1 1 393.281 3.756 10 0 GHAEMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912675 881607188 /nfs/dbraw/zinc/60/71/88/881607188.db2.gz UBNRQSGVLVQCRS-GJZGRUSLSA-N 1 1 375.538 3.771 10 0 GHAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912675 881607197 /nfs/dbraw/zinc/60/71/97/881607197.db2.gz UBNRQSGVLVQCRS-GJZGRUSLSA-N 1 1 375.538 3.771 10 0 GHAEMO Cn1c(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nnc1-c1ccccc1 ZINC000103142865 863932993 /nfs/dbraw/zinc/93/29/93/863932993.db2.gz PKVOUBJAGFKHLM-UHFFFAOYSA-N 1 1 389.547 3.826 10 0 GHAEMO C[N@@H+]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)c2ccccc2C1 ZINC000103410797 864013888 /nfs/dbraw/zinc/01/38/88/864013888.db2.gz FOXDHQVVZLLJKD-UHFFFAOYSA-N 1 1 381.863 3.746 10 0 GHAEMO C[N@H+]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)c2ccccc2C1 ZINC000103410797 864013896 /nfs/dbraw/zinc/01/38/96/864013896.db2.gz FOXDHQVVZLLJKD-UHFFFAOYSA-N 1 1 381.863 3.746 10 0 GHAEMO O=C(NC[C@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1cccnc1)Nc1ccccc1 ZINC000091684090 882133595 /nfs/dbraw/zinc/13/35/95/882133595.db2.gz DKHXOHAPUXAMPB-HXUWFJFHSA-N 1 1 390.491 3.648 10 0 GHAEMO CC(=O)N(c1nc(C[NH2+][C@H]2Cc3ccccc3[C@H]2O)cs1)c1ccc(F)cc1 ZINC000172067905 882167303 /nfs/dbraw/zinc/16/73/03/882167303.db2.gz LPJGPLWKEFGHBC-VQTJNVASSA-N 1 1 397.475 3.715 10 0 GHAEMO CC(=O)N(c1nc(CN2CCC[N@H+](C3CC3)CC2)cs1)c1ccc(C)cc1 ZINC000172543979 882294095 /nfs/dbraw/zinc/29/40/95/882294095.db2.gz NFOJVELNWGILBO-UHFFFAOYSA-N 1 1 384.549 3.806 10 0 GHAEMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000251555154 871154998 /nfs/dbraw/zinc/15/49/98/871154998.db2.gz GAJUSFQFNYCZCQ-MXSMSXNCSA-N 1 1 378.586 3.740 10 0 GHAEMO COc1ccc([C@H](C)NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1F ZINC000174569664 882482620 /nfs/dbraw/zinc/48/26/20/882482620.db2.gz GNLLJXPHEGIIRG-HNNXBMFYSA-N 1 1 386.471 3.567 10 0 GHAEMO COc1c(C)cc(CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1C ZINC000101607785 872140598 /nfs/dbraw/zinc/14/05/98/872140598.db2.gz SMURIHUHQMURGD-UHFFFAOYSA-N 1 1 393.491 3.543 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3c3cccn3C)CC2)[nH+]c1 ZINC000175564144 882597744 /nfs/dbraw/zinc/59/77/44/882597744.db2.gz CAAUAVKWTWKMFI-HXUWFJFHSA-N 1 1 381.524 3.634 10 0 GHAEMO CCOc1ccc2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)[nH]c2c1 ZINC000116252211 873372142 /nfs/dbraw/zinc/37/21/42/873372142.db2.gz YMURWZUGDHSWSG-OXJNMPFZSA-N 1 1 392.503 3.602 10 0 GHAEMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000116476709 873513648 /nfs/dbraw/zinc/51/36/48/873513648.db2.gz NRFFCIORBFUGFZ-KSSFIOAISA-N 1 1 388.899 3.776 10 0 GHAEMO Cc1nc(-c2c[nH]c(C(=O)NC3CCN(c4cccc(C)[nH+]4)CC3)c2)cs1 ZINC000116836976 873726578 /nfs/dbraw/zinc/72/65/78/873726578.db2.gz FQSWFUQXZTVGDD-UHFFFAOYSA-N 1 1 381.505 3.549 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Nc3cccc(OC(F)F)c3)CC2)[nH+]1 ZINC000117000747 873845228 /nfs/dbraw/zinc/84/52/28/873845228.db2.gz YOUJZDXDNWEKKN-UHFFFAOYSA-N 1 1 376.407 3.782 10 0 GHAEMO Clc1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c2c(c1)COCO2 ZINC000177589150 882834923 /nfs/dbraw/zinc/83/49/23/882834923.db2.gz YQHVUCUAWQTPJB-IBGZPJMESA-N 1 1 381.900 3.757 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(Oc3ccccc3)ccn2)CC1 ZINC000178539003 882901940 /nfs/dbraw/zinc/90/19/40/882901940.db2.gz PVUAYANOZZPFTL-UHFFFAOYSA-N 1 1 376.460 3.702 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000178541225 882902235 /nfs/dbraw/zinc/90/22/35/882902235.db2.gz OJQLBDKCKQYHDD-UHFFFAOYSA-N 1 1 398.507 3.862 10 0 GHAEMO CN(c1ccccc1)c1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cn1 ZINC000178621035 882926707 /nfs/dbraw/zinc/92/67/07/882926707.db2.gz HUKPRCZCADIHRW-UHFFFAOYSA-N 1 1 389.503 3.678 10 0 GHAEMO CCOCc1cc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)ccc1OC ZINC000179651358 883017160 /nfs/dbraw/zinc/01/71/60/883017160.db2.gz PDBOJUKLDKMGFB-UHFFFAOYSA-N 1 1 388.533 3.641 10 0 GHAEMO CCOCc1cc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)ccc1OC ZINC000179651358 883017181 /nfs/dbraw/zinc/01/71/81/883017181.db2.gz PDBOJUKLDKMGFB-UHFFFAOYSA-N 1 1 388.533 3.641 10 0 GHAEMO C[C@H](NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000180382105 883054020 /nfs/dbraw/zinc/05/40/20/883054020.db2.gz KAGGWRUWEYZDDJ-FPOVZHCZSA-N 1 1 394.563 3.712 10 0 GHAEMO CC[C@H](NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000180390793 883054156 /nfs/dbraw/zinc/05/41/56/883054156.db2.gz PVWGAKPVHHXKNB-UXHICEINSA-N 1 1 392.975 3.603 10 0 GHAEMO CCCN(C(=O)c1ccccc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)C(C)C ZINC000180632300 883088657 /nfs/dbraw/zinc/08/86/57/883088657.db2.gz QZAWRSKEZAXENJ-FXAWDEMLSA-N 1 1 386.540 3.505 10 0 GHAEMO Cc1c(NC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cccc1C(F)(F)F ZINC000180589670 883083201 /nfs/dbraw/zinc/08/32/01/883083201.db2.gz YVHUEIWMBWGGOI-MRXNPFEDSA-N 1 1 398.473 3.648 10 0 GHAEMO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183490529 883266915 /nfs/dbraw/zinc/26/69/15/883266915.db2.gz DJTUPSCQXWOIIT-UYAOXDASSA-N 1 1 385.533 3.865 10 0 GHAEMO COc1ccccc1CC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000102547561 883541941 /nfs/dbraw/zinc/54/19/41/883541941.db2.gz YVMSRWBGRYGESJ-IBGZPJMESA-N 1 1 385.508 3.555 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cnc(Cc3ccccc3F)s2)CC1 ZINC000185776011 883583616 /nfs/dbraw/zinc/58/36/16/883583616.db2.gz KBOXWLJZOWFRLM-UHFFFAOYSA-N 1 1 398.507 3.701 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Nc3cc(C(F)(F)F)ccn3)CC2)[nH+]1 ZINC000192421280 884261841 /nfs/dbraw/zinc/26/18/41/884261841.db2.gz CLSWWKXGIAEOFA-UHFFFAOYSA-N 1 1 379.386 3.594 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1sccc1Br ZINC000116249759 886357621 /nfs/dbraw/zinc/35/76/21/886357621.db2.gz MWZMOEJIWVBRNF-WFASDCNBSA-N 1 1 394.338 3.546 10 0 GHAEMO CCOCc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116496102 886364077 /nfs/dbraw/zinc/36/40/77/886364077.db2.gz QMZKUKCENKHMRB-UWJYYQICSA-N 1 1 382.508 3.650 10 0 GHAEMO COc1ccc([C@H](C)N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116569237 886367792 /nfs/dbraw/zinc/36/77/92/886367792.db2.gz WKSBKFIEZLLGSG-FGSXEWAUSA-N 1 1 396.535 3.703 10 0 GHAEMO COc1ccc(F)cc1[C@H](C)NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116942845 886374146 /nfs/dbraw/zinc/37/41/46/886374146.db2.gz LHISXYGFOJVPBN-HNNXBMFYSA-N 1 1 386.471 3.567 10 0 GHAEMO COc1ccc(C(=O)CCCC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000124190294 886715614 /nfs/dbraw/zinc/71/56/14/886715614.db2.gz QZIOIZQANWHMKZ-UHFFFAOYSA-N 1 1 395.503 3.537 10 0 GHAEMO CC(C)Oc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1Cl ZINC000124616012 886774773 /nfs/dbraw/zinc/77/47/73/886774773.db2.gz DQNZGKHDLQYJJR-HNNXBMFYSA-N 1 1 395.931 3.844 10 0 GHAEMO CC[C@H](C)n1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1C1CC1 ZINC000127938708 887125448 /nfs/dbraw/zinc/12/54/48/887125448.db2.gz LLAGEAWLYSXFOB-FIKGOQFSSA-N 1 1 395.551 3.767 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4)c3)CC2)CCO1 ZINC000135437488 888240783 /nfs/dbraw/zinc/24/07/83/888240783.db2.gz RWUOAAICDGRWPG-MRXNPFEDSA-N 1 1 399.922 3.727 10 0 GHAEMO C[C@@H](CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)Cc1ccc(Cl)cc1 ZINC000245545463 888890488 /nfs/dbraw/zinc/89/04/88/888890488.db2.gz VKMHROXGEPCEHV-IAGOWNOFSA-N 1 1 378.944 3.620 10 0 GHAEMO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000245612827 889065837 /nfs/dbraw/zinc/06/58/37/889065837.db2.gz WMKRNTHAMLQYPL-MJGOQNOKSA-N 1 1 379.863 3.658 10 0 GHAEMO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000245612827 889065848 /nfs/dbraw/zinc/06/58/48/889065848.db2.gz WMKRNTHAMLQYPL-MJGOQNOKSA-N 1 1 379.863 3.658 10 0 GHAEMO C[N@H+]1CC[C@@H](CNC(=O)CCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245662235 889185457 /nfs/dbraw/zinc/18/54/57/889185457.db2.gz GFNJAQSCLBSHGB-HRAATJIYSA-N 1 1 390.886 3.927 10 0 GHAEMO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C3CC3)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245682391 889216673 /nfs/dbraw/zinc/21/66/73/889216673.db2.gz KGURHUZEXUZABU-FZKQIMNGSA-N 1 1 377.847 3.767 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)c2cc(C3CC3)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245682391 889216686 /nfs/dbraw/zinc/21/66/86/889216686.db2.gz KGURHUZEXUZABU-FZKQIMNGSA-N 1 1 377.847 3.767 10 0 GHAEMO COC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245745348 889611643 /nfs/dbraw/zinc/61/16/43/889611643.db2.gz WOJZNWGOMNVZTC-IDHHARJASA-N 1 1 397.922 3.540 10 0 GHAEMO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246026346 890204427 /nfs/dbraw/zinc/20/44/27/890204427.db2.gz LXLPADQGKPSFEI-HUUCEWRRSA-N 1 1 385.537 3.542 10 0 GHAEMO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246026346 890204444 /nfs/dbraw/zinc/20/44/44/890204444.db2.gz 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375.856 3.504 10 0 GHAEMO Clc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c2c(c1)COCO2 ZINC000155752189 849627152 /nfs/dbraw/zinc/62/71/52/849627152.db2.gz ZWUNTHCPWBZISY-CQSZACIVSA-N 1 1 384.867 3.629 10 0 GHAEMO Cc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1-c1ncco1 ZINC000159467745 862738608 /nfs/dbraw/zinc/73/86/08/862738608.db2.gz XDBLKYGBNFVOKF-UHFFFAOYSA-N 1 1 379.464 3.870 10 0 GHAEMO COc1ccc(-c2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)cs2)cc1OC ZINC000178123254 864533146 /nfs/dbraw/zinc/53/31/46/864533146.db2.gz GDOYSBNQSAVVFQ-IERDGZPVSA-N 1 1 388.533 3.954 10 0 GHAEMO CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000333016955 864616970 /nfs/dbraw/zinc/61/69/70/864616970.db2.gz YOEFDOFPMZYKKL-FYZZASKESA-N 1 1 389.588 3.659 10 0 GHAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000112713986 866738860 /nfs/dbraw/zinc/73/88/60/866738860.db2.gz VYRZBJDFHKMGRQ-INIZCTEOSA-N 1 1 389.931 3.535 10 0 GHAEMO 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/nfs/dbraw/zinc/34/68/46/882346846.db2.gz VPSZMOWSNSSRTN-SFHVURJKSA-N 1 1 398.378 3.555 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173787969 882405277 /nfs/dbraw/zinc/40/52/77/882405277.db2.gz ZNCGZVRAVJKTGT-AOMKIAJQSA-N 1 1 392.478 3.856 10 0 GHAEMO COc1cccc([C@H](C)CC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000175420421 882555159 /nfs/dbraw/zinc/55/51/59/882555159.db2.gz MOLPOBXGEPOBDS-FGSXEWAUSA-N 1 1 381.520 3.611 10 0 GHAEMO COc1ccc(CN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C2CC2)cc1 ZINC000175279911 882564612 /nfs/dbraw/zinc/56/46/12/882564612.db2.gz ISHCWCWEWZIEGX-UHFFFAOYSA-N 1 1 394.519 3.742 10 0 GHAEMO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000176004871 882656341 /nfs/dbraw/zinc/65/63/41/882656341.db2.gz SVGVVIMPNOYAOW-RJGXRXQPSA-N 1 1 383.580 3.542 10 0 GHAEMO CSc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1Cl ZINC000176104685 882666703 /nfs/dbraw/zinc/66/67/03/882666703.db2.gz TVNKAIJQYXDCSO-CYBMUJFWSA-N 1 1 383.945 3.779 10 0 GHAEMO CCSc1ccc(Cl)cc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000176308725 882677521 /nfs/dbraw/zinc/67/75/21/882677521.db2.gz MNGHTHVTXRWGMR-KRWDZBQOSA-N 1 1 396.000 3.694 10 0 GHAEMO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)nc21 ZINC000176514000 882701836 /nfs/dbraw/zinc/70/18/36/882701836.db2.gz RFYYBWCNMJMFED-OALUTQOASA-N 1 1 382.552 3.917 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)[nH]c21 ZINC000176514000 882701839 /nfs/dbraw/zinc/70/18/39/882701839.db2.gz RFYYBWCNMJMFED-OALUTQOASA-N 1 1 382.552 3.917 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)[nH]c21 ZINC000176514000 882701842 /nfs/dbraw/zinc/70/18/42/882701842.db2.gz RFYYBWCNMJMFED-OALUTQOASA-N 1 1 382.552 3.917 10 0 GHAEMO CCCc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000116244638 873365877 /nfs/dbraw/zinc/36/58/77/873365877.db2.gz CBIOVHNEIKKBNV-YWZLYKJASA-N 1 1 396.535 3.514 10 0 GHAEMO 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882901593 /nfs/dbraw/zinc/90/15/93/882901593.db2.gz LUAPILXLFHLOLD-UHFFFAOYSA-N 1 1 380.517 3.947 10 0 GHAEMO C[C@H](NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000180381558 883054531 /nfs/dbraw/zinc/05/45/31/883054531.db2.gz YDDVQQSTGFZGFO-WMZHIEFXSA-N 1 1 394.563 3.712 10 0 GHAEMO Cc1nnc([C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc2)[nH]1 ZINC000180414527 883057218 /nfs/dbraw/zinc/05/72/18/883057218.db2.gz ZBAISZNNTBXTKG-DAWZGUTISA-N 1 1 385.512 3.628 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1OC(F)(F)F ZINC000180228986 883069177 /nfs/dbraw/zinc/06/91/77/883069177.db2.gz UYADZWNDASFUJK-PBHICJAKSA-N 1 1 393.409 3.621 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)CC1 ZINC000121907656 878033850 /nfs/dbraw/zinc/03/38/50/878033850.db2.gz KVCZOIFAAGRANF-UHFFFAOYSA-N 1 1 383.883 3.559 10 0 GHAEMO CCC(CC)[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCO1 ZINC000181212321 883128086 /nfs/dbraw/zinc/12/80/86/883128086.db2.gz 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PDHBJWJZKVUSPD-BJZITVGISA-N 1 1 387.574 3.500 10 0 GHAEMO CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000247008529 891331491 /nfs/dbraw/zinc/33/14/91/891331491.db2.gz LMUGPWSHPMXQPZ-AVRDEDQJSA-N 1 1 393.531 3.561 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000246932871 891347698 /nfs/dbraw/zinc/34/76/98/891347698.db2.gz IMFUNHJWLBXHPY-VGOFRKELSA-N 1 1 396.510 3.805 10 0 GHAEMO C[C@@H](CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1C(F)(F)F ZINC000247160304 891349843 /nfs/dbraw/zinc/34/98/43/891349843.db2.gz ALKNCHRNNXXXST-HOTGVXAUSA-N 1 1 398.469 3.911 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000247152495 891350547 /nfs/dbraw/zinc/35/05/47/891350547.db2.gz ILODSFXTMZEAEX-IDCXYZFESA-N 1 1 383.923 3.865 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000247176614 891351693 /nfs/dbraw/zinc/35/16/93/891351693.db2.gz JYACRFGHAFJHLM-OXQOHEQNSA-N 1 1 383.923 3.793 10 0 GHAEMO Cc1cccc(OCCCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247334517 891368590 /nfs/dbraw/zinc/36/85/90/891368590.db2.gz YOYVZHVXSVCJRN-NFBKMPQASA-N 1 1 395.547 3.966 10 0 GHAEMO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000248046506 891407590 /nfs/dbraw/zinc/40/75/90/891407590.db2.gz NCVGRRHUIZYYAI-MJGOQNOKSA-N 1 1 386.883 3.865 10 0 GHAEMO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249808545 891525584 /nfs/dbraw/zinc/52/55/84/891525584.db2.gz BWRTUHYZOKYMOV-DOTOQJQBSA-N 1 1 382.533 3.551 10 0 GHAEMO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249808545 891525592 /nfs/dbraw/zinc/52/55/92/891525592.db2.gz BWRTUHYZOKYMOV-DOTOQJQBSA-N 1 1 382.533 3.551 10 0 GHAEMO CCc1nccn1[C@H]1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)C1 ZINC000252463259 892358668 /nfs/dbraw/zinc/35/86/68/892358668.db2.gz WBOCDEFNFABMBE-MOPGFXCFSA-N 1 1 389.588 3.693 10 0 GHAEMO 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835557816 /nfs/dbraw/zinc/55/78/16/835557816.db2.gz JPPFWYVGUWZRHV-KRWDZBQOSA-N 1 1 375.266 3.721 10 0 GHAEMO Fc1ccc(C2(c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)CCCC2)c(F)c1 ZINC000329748452 835860993 /nfs/dbraw/zinc/86/09/93/835860993.db2.gz ZZGYEJHAUADZAU-RHSMWYFYSA-N 1 1 375.419 3.744 10 0 GHAEMO Fc1ccc(C2(c3nc([C@H]4C[N@H+]5CCC[C@@H]5CO4)no3)CCCC2)c(F)c1 ZINC000329748452 835861000 /nfs/dbraw/zinc/86/10/00/835861000.db2.gz ZZGYEJHAUADZAU-RHSMWYFYSA-N 1 1 375.419 3.744 10 0 GHAEMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000106179499 840668996 /nfs/dbraw/zinc/66/89/96/840668996.db2.gz APZYHZSDMLNNDY-YOEHRIQHSA-N 1 1 389.931 3.596 10 0 GHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000106207136 840760443 /nfs/dbraw/zinc/76/04/43/840760443.db2.gz URGWGCKSNIOYCJ-GOEBONIOSA-N 1 1 383.521 3.811 10 0 GHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000106207136 840760446 /nfs/dbraw/zinc/76/04/46/840760446.db2.gz URGWGCKSNIOYCJ-GOEBONIOSA-N 1 1 383.521 3.811 10 0 GHAEMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332880913 844621657 /nfs/dbraw/zinc/62/16/57/844621657.db2.gz GQQATYFXUQFTEQ-ZDXQCDESSA-N 1 1 399.579 3.625 10 0 GHAEMO CC[N@@H+]1CC[C@H](NC(=O)/C=C\c2cncc(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000588409747 841304580 /nfs/dbraw/zinc/30/45/80/841304580.db2.gz KDHXEJMLTXQLQU-YKEVHWJYSA-N 1 1 389.858 3.545 10 0 GHAEMO CC[N@H+]1CC[C@H](NC(=O)/C=C\c2cncc(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000588409747 841304593 /nfs/dbraw/zinc/30/45/93/841304593.db2.gz KDHXEJMLTXQLQU-YKEVHWJYSA-N 1 1 389.858 3.545 10 0 GHAEMO Cc1c(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cccc1N1CCNC1=O ZINC000162237902 843222386 /nfs/dbraw/zinc/22/23/86/843222386.db2.gz NTOKXAIYEYIWFR-UHFFFAOYSA-N 1 1 392.503 3.749 10 0 GHAEMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162472767 843258723 /nfs/dbraw/zinc/25/87/23/843258723.db2.gz WUJIFKGJVRPPTI-UHFFFAOYSA-N 1 1 380.517 3.947 10 0 GHAEMO O=C(c1cccs1)N1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000112352175 843353279 /nfs/dbraw/zinc/35/32/79/843353279.db2.gz MABGPJSBYUCMKY-UHFFFAOYSA-N 1 1 396.516 3.579 10 0 GHAEMO CC(C)c1nnc([C@H]2CCCCN2C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[nH]1 ZINC000329536617 861608396 /nfs/dbraw/zinc/60/83/96/861608396.db2.gz BECMTELBAYRLTM-MISYRCLQSA-N 1 1 395.551 3.750 10 0 GHAEMO CC(C)c1nc([C@H]2CCCCN2C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC000329536617 861608400 /nfs/dbraw/zinc/60/84/00/861608400.db2.gz BECMTELBAYRLTM-MISYRCLQSA-N 1 1 395.551 3.750 10 0 GHAEMO CC(C)c1nc([C@H]2CCCCN2C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC000329536617 861608406 /nfs/dbraw/zinc/60/84/06/861608406.db2.gz BECMTELBAYRLTM-MISYRCLQSA-N 1 1 395.551 3.750 10 0 GHAEMO Clc1ccc([C@@H]2OCC[C@H]2c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000333630766 847585927 /nfs/dbraw/zinc/58/59/27/847585927.db2.gz GNNYJRQXSIAOMH-YVSFHVDLSA-N 1 1 375.856 3.504 10 0 GHAEMO Clc1ccc([C@@H]2OCC[C@H]2c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000333630766 847585944 /nfs/dbraw/zinc/58/59/44/847585944.db2.gz GNNYJRQXSIAOMH-YVSFHVDLSA-N 1 1 375.856 3.504 10 0 GHAEMO Brc1ccc([C@@H]2C[C@H]2c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000333867538 851789995 /nfs/dbraw/zinc/78/99/95/851789995.db2.gz TWECFWYBYHINMF-JONQDZQNSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1ccc([C@@H]2C[C@H]2c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000333867538 851790002 /nfs/dbraw/zinc/79/00/02/851790002.db2.gz TWECFWYBYHINMF-JONQDZQNSA-N 1 1 390.281 3.639 10 0 GHAEMO C[C@@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1c(F)cccc1Cl ZINC000128790310 855132330 /nfs/dbraw/zinc/13/23/30/855132330.db2.gz UGSGXYCGCVVXQC-CYBMUJFWSA-N 1 1 378.879 3.938 10 0 GHAEMO COc1ccccc1CC[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000104708923 856373258 /nfs/dbraw/zinc/37/32/58/856373258.db2.gz GOEBCXMXXYVRHH-UHFFFAOYSA-N 1 1 391.309 3.961 10 0 GHAEMO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)n2)cc1F ZINC000329020960 860951813 /nfs/dbraw/zinc/95/18/13/860951813.db2.gz HVNSFSYZYMNMGT-IUODEOHRSA-N 1 1 383.427 3.995 10 0 GHAEMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)n2)cc1F ZINC000329020960 860951831 /nfs/dbraw/zinc/95/18/31/860951831.db2.gz HVNSFSYZYMNMGT-IUODEOHRSA-N 1 1 383.427 3.995 10 0 GHAEMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000103305992 863949951 /nfs/dbraw/zinc/94/99/51/863949951.db2.gz CNSXLLLIMYMQPQ-KNQAVFIVSA-N 1 1 380.536 3.982 10 0 GHAEMO Cc1nc2scc(CC(C)C)c2c(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000112556885 866733535 /nfs/dbraw/zinc/73/35/35/866733535.db2.gz NDOFQEIQDMLYPI-UHFFFAOYSA-N 1 1 398.580 3.644 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000172194809 882176546 /nfs/dbraw/zinc/17/65/46/882176546.db2.gz LMLRFHJXYQOZLF-VOQZNFBZSA-N 1 1 378.520 3.621 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)C[C@H](C)C(=O)c3cccc(F)c3)CC2)[nH+]c1 ZINC000173173426 882338102 /nfs/dbraw/zinc/33/81/02/882338102.db2.gz KBYNQGIQENZHSD-INIZCTEOSA-N 1 1 383.467 3.523 10 0 GHAEMO Cc1csc([C@@H](NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C2CC2)n1 ZINC000173369268 882356923 /nfs/dbraw/zinc/35/69/23/882356923.db2.gz NFOCGYMQBOOMMG-SFHVURJKSA-N 1 1 385.537 3.574 10 0 GHAEMO c1csc([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)n1 ZINC000092788976 882439955 /nfs/dbraw/zinc/43/99/55/882439955.db2.gz YEQLOZXLFNNCFG-OAHLLOKOSA-N 1 1 382.489 3.684 10 0 GHAEMO Cn1nc(-c2ccccc2)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1Cl ZINC000093134449 882493694 /nfs/dbraw/zinc/49/36/94/882493694.db2.gz HQUKVXOEDZPVKZ-INIZCTEOSA-N 1 1 396.926 3.658 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)[nH+]c1 ZINC000174853421 882532760 /nfs/dbraw/zinc/53/27/60/882532760.db2.gz SJVQJMYPNNPTOE-ZBFHGGJFSA-N 1 1 384.446 3.779 10 0 GHAEMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000175791248 882627674 /nfs/dbraw/zinc/62/76/74/882627674.db2.gz JHNYKZUOGHCQRN-UXHICEINSA-N 1 1 399.564 3.737 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1 ZINC000116252290 873371667 /nfs/dbraw/zinc/37/16/67/873371667.db2.gz FCHZHQMUBJKETQ-UZLBHIALSA-N 1 1 387.911 3.531 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)[C@H]3CCCO[C@H]3c3ccccc3)CC2)[nH+]1 ZINC000116666601 873614132 /nfs/dbraw/zinc/61/41/32/873614132.db2.gz NCNHDVRALXNCFU-UNMCSNQZSA-N 1 1 379.504 3.643 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N(C)Cc3nc4ccccc4s3)CC2)[nH+]1 ZINC000116970768 873799912 /nfs/dbraw/zinc/79/99/12/873799912.db2.gz JQSHQFLCLXXEJY-UHFFFAOYSA-N 1 1 395.532 3.810 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N3C[C@@H](C)C[C@@H]3c3cccnc3)CC2)[nH+]1 ZINC000183503684 883268482 /nfs/dbraw/zinc/26/84/82/883268482.db2.gz LXKWIKBDHYYXDA-OXJNMPFZSA-N 1 1 379.508 3.547 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2csc(Cc3cccc(F)c3)n2)CC1 ZINC000184242578 883338936 /nfs/dbraw/zinc/33/89/36/883338936.db2.gz BNRPTOCBPGTGLL-UHFFFAOYSA-N 1 1 398.507 3.701 10 0 GHAEMO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000186243920 883624970 /nfs/dbraw/zinc/62/49/70/883624970.db2.gz XVWKXGVPFLXDDZ-MGPUTAFESA-N 1 1 381.501 3.750 10 0 GHAEMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn1 ZINC000189288683 883928575 /nfs/dbraw/zinc/92/85/75/883928575.db2.gz XFEIIXJPEHLARV-CYBMUJFWSA-N 1 1 379.361 3.662 10 0 GHAEMO COc1ccccc1CCN(C)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000104459114 885453624 /nfs/dbraw/zinc/45/36/24/885453624.db2.gz DROHVIAUUWWFOQ-KDURUIRLSA-N 1 1 396.531 3.619 10 0 GHAEMO COc1ccccc1CCN(C)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000104459114 885453633 /nfs/dbraw/zinc/45/36/33/885453633.db2.gz DROHVIAUUWWFOQ-KDURUIRLSA-N 1 1 396.531 3.619 10 0 GHAEMO Fc1ccc(-c2cnc(C[NH+]3CCC(c4nnc5ccccn54)CC3)o2)cc1 ZINC000102694802 885973422 /nfs/dbraw/zinc/97/34/22/885973422.db2.gz FYPVWWRMGFMKRS-UHFFFAOYSA-N 1 1 377.423 3.903 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000116249688 886357514 /nfs/dbraw/zinc/35/75/14/886357514.db2.gz BOXDJSGRSAESHK-LPHOPBHVSA-N 1 1 392.528 3.846 10 0 GHAEMO Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000120686804 886529514 /nfs/dbraw/zinc/52/95/14/886529514.db2.gz LNVBNEVSJNXEED-UHFFFAOYSA-N 1 1 397.910 3.663 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)[nH+]c1 ZINC000124802949 886801339 /nfs/dbraw/zinc/80/13/39/886801339.db2.gz WFEIOAKUGQVCMM-NHCUHLMSSA-N 1 1 394.519 3.578 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3ccc(F)cc3C(F)(F)F)CC2)[nH+]1 ZINC000126398080 886964663 /nfs/dbraw/zinc/96/46/63/886964663.db2.gz GIVBTRBOVHRWQQ-UHFFFAOYSA-N 1 1 381.373 3.947 10 0 GHAEMO CCCCOc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(C)c1 ZINC000128605058 887207354 /nfs/dbraw/zinc/20/73/54/887207354.db2.gz CXVIHELEMCMLHB-SFHVURJKSA-N 1 1 389.540 3.891 10 0 GHAEMO O=C(COc1ccc(C2SCCCS2)cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000061605327 888491889 /nfs/dbraw/zinc/49/18/89/888491889.db2.gz RYDYIPFKQPQJDE-UHFFFAOYSA-N 1 1 392.590 3.631 10 0 GHAEMO O=C(Nc1cccc(O)c1F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000193706817 888518593 /nfs/dbraw/zinc/51/85/93/888518593.db2.gz IIDAOUFANOLRHL-ZIAGYGMSSA-N 1 1 382.357 3.780 10 0 GHAEMO CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000245667667 889193730 /nfs/dbraw/zinc/19/37/30/889193730.db2.gz HKJHWVMBTWFOPQ-WMZOPIPTSA-N 1 1 376.451 3.652 10 0 GHAEMO CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246574651 891286856 /nfs/dbraw/zinc/28/68/56/891286856.db2.gz OGOWVDCBSDZLGS-FFGOWVMKSA-N 1 1 390.597 3.608 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000246858398 891317600 /nfs/dbraw/zinc/31/76/00/891317600.db2.gz DUQOHMHMQFINIS-OXJNMPFZSA-N 1 1 386.927 3.787 10 0 GHAEMO O=C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1c(Cl)cccc1Cl ZINC000246893987 891320274 /nfs/dbraw/zinc/32/02/74/891320274.db2.gz RDNBTCRHETXOIC-GUYCJALGSA-N 1 1 382.335 3.881 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000247231653 891358026 /nfs/dbraw/zinc/35/80/26/891358026.db2.gz NXOJTDPWPDRQHE-VQIMIIECSA-N 1 1 395.551 3.551 10 0 GHAEMO O[C@H](C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21)c1cccs1 ZINC000247314660 891365671 /nfs/dbraw/zinc/36/56/71/891365671.db2.gz IKDNUISIAZJNTC-JTDSTZFVSA-N 1 1 386.517 3.557 10 0 GHAEMO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1)C(C)C ZINC000247546138 891383148 /nfs/dbraw/zinc/38/31/48/891383148.db2.gz QNCFPHRUSWKYHS-FPOVZHCZSA-N 1 1 376.566 3.701 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247950729 891401794 /nfs/dbraw/zinc/40/17/94/891401794.db2.gz DZOXGNOTJUTBJQ-MAUKXSAKSA-N 1 1 387.911 3.870 10 0 GHAEMO O=C(NCCC[C@H]1CCCCO1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248750509 891465094 /nfs/dbraw/zinc/46/50/94/891465094.db2.gz UFMVHPYGYQEZIH-LQCXBHPOSA-N 1 1 385.552 3.831 10 0 GHAEMO Cc1cc(C)c(N2CC[C@H]([N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)C2=O)c(C)c1 ZINC000249070962 891492671 /nfs/dbraw/zinc/49/26/71/891492671.db2.gz KZEHYFKCQHYXLE-QUCCMNQESA-N 1 1 393.535 3.523 10 0 GHAEMO Cc1cc(C)c(N2CC[C@H]([N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)C2=O)c(C)c1 ZINC000249070962 891492674 /nfs/dbraw/zinc/49/26/74/891492674.db2.gz KZEHYFKCQHYXLE-QUCCMNQESA-N 1 1 393.535 3.523 10 0 GHAEMO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333348978 902027776 /nfs/dbraw/zinc/02/77/76/902027776.db2.gz JHAUVLJHBUBSRY-UXHICEINSA-N 1 1 392.503 3.574 10 0 GHAEMO Cc1ccc2oc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)cc2c1 ZINC000333408667 902070270 /nfs/dbraw/zinc/07/02/70/902070270.db2.gz GORVVDLMXMJMNE-HRAATJIYSA-N 1 1 380.492 3.630 10 0 GHAEMO C[C@H](c1cccc(Br)c1)[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375329990 928175045 /nfs/dbraw/zinc/17/50/45/928175045.db2.gz XCIDSROZCNDJFH-CYBMUJFWSA-N 1 1 379.298 3.514 10 0 GHAEMO C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703532004 977168700 /nfs/dbraw/zinc/16/87/00/977168700.db2.gz RVAMSOZMCYQEJG-NVXWUHKLSA-N 1 1 385.533 3.794 10 0 GHAEMO C[N@@H+](Cc1cnc(Cl)nc1Cl)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075199 208152550 /nfs/dbraw/zinc/15/25/50/208152550.db2.gz DNWYAOUQCNWDPP-GFCCVEGCSA-N 1 1 389.327 3.862 10 0 GHAEMO C[N@H+](Cc1cnc(Cl)nc1Cl)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075199 208152555 /nfs/dbraw/zinc/15/25/55/208152555.db2.gz DNWYAOUQCNWDPP-GFCCVEGCSA-N 1 1 389.327 3.862 10 0 GHAEMO COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000012020141 570454852 /nfs/dbraw/zinc/45/48/52/570454852.db2.gz JEQSZCBALWVBJI-SSPYTLHUSA-N 1 1 376.500 3.942 10 0 GHAEMO COc1cccc(C[N@@H+](CCC(C)C)C[C@@H](O)COCc2ccco2)c1OC ZINC000036097283 570535570 /nfs/dbraw/zinc/53/55/70/570535570.db2.gz GUFAFOCIBSBJEX-LJQANCHMSA-N 1 1 391.508 3.723 10 0 GHAEMO Cc1ccc(C[N@H+]2CCc3c(cc(C(=O)N[C@H](C)c4ccccn4)n3C)C2)cc1 ZINC000065307381 570788530 /nfs/dbraw/zinc/78/85/30/570788530.db2.gz QMWYPHDYTHCQNB-GOSISDBHSA-N 1 1 388.515 3.778 10 0 GHAEMO Cc1ccc(C[N@@H+]2CCc3c(cc(C(=O)N[C@H](C)c4ccccn4)n3C)C2)cc1 ZINC000065307381 570788533 /nfs/dbraw/zinc/78/85/33/570788533.db2.gz QMWYPHDYTHCQNB-GOSISDBHSA-N 1 1 388.515 3.778 10 0 GHAEMO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(n2cncn2)CC1 ZINC000156576834 834439552 /nfs/dbraw/zinc/43/95/52/834439552.db2.gz FJMMYLQDZREHKO-KRWDZBQOSA-N 1 1 391.475 3.735 10 0 GHAEMO Cc1csc(C2CC[NH+]([C@H](C)C(=O)N3CCc4sccc4C3)CC2)n1 ZINC000156682729 834501788 /nfs/dbraw/zinc/50/17/88/834501788.db2.gz INKLUIDTTVMDSO-CQSZACIVSA-N 1 1 375.563 3.666 10 0 GHAEMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113231492 837822210 /nfs/dbraw/zinc/82/22/10/837822210.db2.gz LOMHDHQWBBMXRL-RDJZCZTQSA-N 1 1 397.567 3.927 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)[C@H]3CCCO[C@@H]3c3ccccc3)CC2)[nH+]c1 ZINC000157759489 835076857 /nfs/dbraw/zinc/07/68/57/835076857.db2.gz HNAIMYUHFZFVJH-RBBKRZOGSA-N 1 1 379.504 3.643 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCO[C@@H]3c3ccccc3)CC2)[nH+]c1 ZINC000157759344 835077003 /nfs/dbraw/zinc/07/70/03/835077003.db2.gz HNAIMYUHFZFVJH-IFMALSPDSA-N 1 1 379.504 3.643 10 0 GHAEMO c1c2c(sc1-c1nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no1)-c1ccccc1OC2 ZINC000329547670 835212324 /nfs/dbraw/zinc/21/23/24/835212324.db2.gz BACPDTUCRUZJCH-XJKSGUPXSA-N 1 1 381.457 3.893 10 0 GHAEMO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000329620630 835450048 /nfs/dbraw/zinc/45/00/48/835450048.db2.gz FLWONLOSFCWDDE-WBVHZDCISA-N 1 1 381.524 3.588 10 0 GHAEMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000328756511 840408907 /nfs/dbraw/zinc/40/89/07/840408907.db2.gz UGDLVQMTQNLMFW-XBVQOTNRSA-N 1 1 381.476 3.843 10 0 GHAEMO CC(C)(C)c1cc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)n(-c2ccc(F)cc2)n1 ZINC000329348912 861311610 /nfs/dbraw/zinc/31/16/10/861311610.db2.gz DQUOHKQAXUNCBZ-QGZVFWFLSA-N 1 1 385.487 3.621 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000162546816 843273251 /nfs/dbraw/zinc/27/32/51/843273251.db2.gz RZSLJGNNNYOYNM-QGZVFWFLSA-N 1 1 379.426 3.937 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000155102247 849448268 /nfs/dbraw/zinc/44/82/68/849448268.db2.gz OHPVEVCRMFELDM-BVYCBKJFSA-N 1 1 395.547 3.965 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000155226844 849483163 /nfs/dbraw/zinc/48/31/63/849483163.db2.gz WTWBBQJVPCUNNT-KKSFZXQISA-N 1 1 387.474 3.709 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc[nH+]c(N[C@H]2CCCO[C@H]2C(C)C)n1 ZINC000330126404 862597103 /nfs/dbraw/zinc/59/71/03/862597103.db2.gz IRVNQQQUESZVHC-WFXMLNOXSA-N 1 1 398.555 3.784 10 0 GHAEMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000247004117 855450413 /nfs/dbraw/zinc/45/04/13/855450413.db2.gz LUHBEPSWGGEZAK-WNOPAQSVSA-N 1 1 399.579 3.755 10 0 GHAEMO Cn1c(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)nnc1-c1ccccc1 ZINC000103474709 856180879 /nfs/dbraw/zinc/18/08/79/856180879.db2.gz FMTUWGSCDHCDKW-UHFFFAOYSA-N 1 1 386.503 3.937 10 0 GHAEMO Cn1c(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)nnc1-c1ccccc1 ZINC000103474709 856180889 /nfs/dbraw/zinc/18/08/89/856180889.db2.gz FMTUWGSCDHCDKW-UHFFFAOYSA-N 1 1 386.503 3.937 10 0 GHAEMO COc1ccccc1CC1CC[NH+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000102410570 860263168 /nfs/dbraw/zinc/26/31/68/860263168.db2.gz VOGSKFMDMSMVEA-UHFFFAOYSA-N 1 1 395.503 3.547 10 0 GHAEMO Cc1[nH]c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3ccnn3C)cc2c1C ZINC000329048677 860976335 /nfs/dbraw/zinc/97/63/35/860976335.db2.gz VUQGXZWYEBSLKG-PGRDOPGGSA-N 1 1 393.535 3.673 10 0 GHAEMO O=C1[C@H]([N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CCCN1c1ccccc1Cl ZINC000329058029 860982253 /nfs/dbraw/zinc/98/22/53/860982253.db2.gz TXAOTHNPTAPWHI-RHSMWYFYSA-N 1 1 386.883 3.585 10 0 GHAEMO O=C1[C@H]([N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CCCN1c1ccccc1Cl ZINC000329058029 860982263 /nfs/dbraw/zinc/98/22/63/860982263.db2.gz TXAOTHNPTAPWHI-RHSMWYFYSA-N 1 1 386.883 3.585 10 0 GHAEMO Cc1sc2nc(C)nc(NC[C@@H]3CCC[N@@H+](C)[C@H]3c3ccnn3C)c2c1C ZINC000329214388 861152754 /nfs/dbraw/zinc/15/27/54/861152754.db2.gz LBQRLIXQRMQPBV-MAUKXSAKSA-N 1 1 384.553 3.845 10 0 GHAEMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1cccnc1)Nc1ccccc1 ZINC000091684088 882133789 /nfs/dbraw/zinc/13/37/89/882133789.db2.gz DKHXOHAPUXAMPB-FQEVSTJZSA-N 1 1 390.491 3.648 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)CCCc1ccccc1 ZINC000172194067 882176294 /nfs/dbraw/zinc/17/62/94/882176294.db2.gz FCXOBVFUJCTCFR-KNQAVFIVSA-N 1 1 380.536 3.566 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(Cl)s1 ZINC000172175960 882176561 /nfs/dbraw/zinc/17/65/61/882176561.db2.gz WGRJENIQLPGAOO-BBRMVZONSA-N 1 1 378.929 3.506 10 0 GHAEMO CCCOc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000173516905 882374920 /nfs/dbraw/zinc/37/49/20/882374920.db2.gz HQXWIPGXBQQRJD-WMZHIEFXSA-N 1 1 395.547 3.830 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000174369729 882458527 /nfs/dbraw/zinc/45/85/27/882458527.db2.gz HULMVQHXMGZJIW-OAHLLOKOSA-N 1 1 385.339 3.627 10 0 GHAEMO CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1nc(C)cs1 ZINC000116547015 873566288 /nfs/dbraw/zinc/56/62/88/873566288.db2.gz OGWXVSBILRDWPC-JCGIZDLHSA-N 1 1 387.553 3.507 10 0 GHAEMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000102763326 873569341 /nfs/dbraw/zinc/56/93/41/873569341.db2.gz YZHZJWCLKIUXAG-KBPBESRZSA-N 1 1 387.446 3.598 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Cc3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000116669482 873614580 /nfs/dbraw/zinc/61/45/80/873614580.db2.gz LSJCDDKAPPNGNV-UHFFFAOYSA-N 1 1 377.410 3.737 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)CC[C@@H]21 ZINC000178114517 882886728 /nfs/dbraw/zinc/88/67/28/882886728.db2.gz QNBPKZFHEATKME-WFASDCNBSA-N 1 1 389.849 3.713 10 0 GHAEMO C[C@@H](CC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000180064910 883048374 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378.929 3.775 10 0 GHAEMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1nccs1 ZINC000106281943 886031281 /nfs/dbraw/zinc/03/12/81/886031281.db2.gz KRXLKGWKYWABCB-CQSZACIVSA-N 1 1 378.929 3.775 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Cc3cccc(OC(F)(F)F)c3)CC2)[nH+]1 ZINC000123728546 886665322 /nfs/dbraw/zinc/66/53/22/886665322.db2.gz NNUCBKLHPBENMD-UHFFFAOYSA-N 1 1 393.409 3.616 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)CCO1 ZINC000124325350 886731729 /nfs/dbraw/zinc/73/17/29/886731729.db2.gz PRDFUYRYOUOCAT-LJQANCHMSA-N 1 1 393.531 3.994 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000125410442 886864353 /nfs/dbraw/zinc/86/43/53/886864353.db2.gz UNWXKSWJCPJNER-UNMCSNQZSA-N 1 1 396.535 3.552 10 0 GHAEMO CC[C@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(F)cc1F ZINC000129475412 887303075 /nfs/dbraw/zinc/30/30/75/887303075.db2.gz VVNIGYGMDSUSCE-SFHVURJKSA-N 1 1 376.451 3.814 10 0 GHAEMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(Cl)cc4c3OCOC4)CC2)C1 ZINC000048046525 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O=C(Nc1ccccc1)c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000105024670 866236331 /nfs/dbraw/zinc/23/63/31/866236331.db2.gz SZSXZIDTDXDKJA-HXUWFJFHSA-N 1 1 378.476 3.641 10 0 GHAEMO CC(=O)N(c1nc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000172068195 882167675 /nfs/dbraw/zinc/16/76/75/882167675.db2.gz HQCWIWGXGVNHTP-SFTDATJTSA-N 1 1 393.512 3.884 10 0 GHAEMO O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000104987158 870607812 /nfs/dbraw/zinc/60/78/12/870607812.db2.gz KTKNJSUGPSIYHC-OAHLLOKOSA-N 1 1 393.413 3.593 10 0 GHAEMO O=C(NC1CC[NH+](Cn2ccc(-c3ccc(F)cc3)n2)CC1)C1CCCCC1 ZINC000103264346 871559907 /nfs/dbraw/zinc/55/99/07/871559907.db2.gz ACARRWFAQHURAI-UHFFFAOYSA-N 1 1 384.499 3.808 10 0 GHAEMO COc1ccc(F)cc1[C@H](C)NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000175191534 882556623 /nfs/dbraw/zinc/55/66/23/882556623.db2.gz DYCJTSRRCNXRSR-HNNXBMFYSA-N 1 1 386.471 3.567 10 0 GHAEMO O=C(NCc1nc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cs1)c1ccccc1 ZINC000175616037 882604149 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394.906 3.924 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000116247769 873368896 /nfs/dbraw/zinc/36/88/96/873368896.db2.gz JYACRFGHAFJHLM-UZLBHIALSA-N 1 1 383.923 3.793 10 0 GHAEMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)s1 ZINC000176606315 882719170 /nfs/dbraw/zinc/71/91/70/882719170.db2.gz RCEGUCKMRUPYIS-YCPHGPKFSA-N 1 1 377.941 3.927 10 0 GHAEMO COc1ccc(Cl)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116492633 873517649 /nfs/dbraw/zinc/51/76/49/873517649.db2.gz IPEQVCYNTDAHGR-KSSFIOAISA-N 1 1 388.899 3.776 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@@H](c3ncccc3C)C(C)C)CC2)[nH+]1 ZINC000116960237 873798827 /nfs/dbraw/zinc/79/88/27/873798827.db2.gz OICRLOBMUGKSAD-HXUWFJFHSA-N 1 1 381.524 3.759 10 0 GHAEMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ncc(Br)s1 ZINC000179231708 882981854 /nfs/dbraw/zinc/98/18/54/882981854.db2.gz BKQSWYCUSGJVOW-YDHLFZDLSA-N 1 1 395.370 3.862 10 0 GHAEMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ncc(Br)s1 ZINC000179231708 882981865 /nfs/dbraw/zinc/98/18/65/882981865.db2.gz BKQSWYCUSGJVOW-YDHLFZDLSA-N 1 1 395.370 3.862 10 0 GHAEMO C[C@H](NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000180382141 883053456 /nfs/dbraw/zinc/05/34/56/883053456.db2.gz KAGGWRUWEYZDDJ-PZJWPPBQSA-N 1 1 394.563 3.712 10 0 GHAEMO Cc1ccc(-c2nc(CC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cs2)cc1 ZINC000122028438 878233141 /nfs/dbraw/zinc/23/31/41/878233141.db2.gz NNXVQGFGELBUIA-UHFFFAOYSA-N 1 1 394.544 3.876 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)C[C@H]3c3cccnc3)CC2)[nH+]1 ZINC000183503702 883269127 /nfs/dbraw/zinc/26/91/27/883269127.db2.gz LXKWIKBDHYYXDA-UZLBHIALSA-N 1 1 379.508 3.547 10 0 GHAEMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccncc2OC)cc1 ZINC000187061012 883735446 /nfs/dbraw/zinc/73/54/46/883735446.db2.gz JOJZNOXCVMZELV-OXQOHEQNSA-N 1 1 383.492 3.503 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Nc3cc(C(F)(F)F)ccn3)CC2)[nH+]c1 ZINC000192424741 884260868 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1 1 387.553 3.788 10 0 GHAEMO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1 ZINC000245434051 888751963 /nfs/dbraw/zinc/75/19/63/888751963.db2.gz PMHFQKZFXXGWTC-HZPDHXFCSA-N 1 1 387.553 3.788 10 0 GHAEMO CN(C(=O)c1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000245483854 888790107 /nfs/dbraw/zinc/79/01/07/888790107.db2.gz GGCBSLUPNJLWTM-MOPGFXCFSA-N 1 1 398.551 3.792 10 0 GHAEMO Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245752707 889639377 /nfs/dbraw/zinc/63/93/77/889639377.db2.gz XYBUNBQUUUQPHX-WBMJQRKESA-N 1 1 399.297 3.597 10 0 GHAEMO Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245752707 889639383 /nfs/dbraw/zinc/63/93/83/889639383.db2.gz XYBUNBQUUUQPHX-WBMJQRKESA-N 1 1 399.297 3.597 10 0 GHAEMO CC(=O)N(c1nc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cs1)c1ccccc1 ZINC000245850236 889860439 /nfs/dbraw/zinc/86/04/39/889860439.db2.gz BEBCYWGNXSYKCT-PXNSSMCTSA-N 1 1 384.549 3.744 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000245861815 889878490 /nfs/dbraw/zinc/87/84/90/889878490.db2.gz CGUUHHAUIDSNQK-MAUKXSAKSA-N 1 1 398.473 3.666 10 0 GHAEMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1F ZINC000245920186 890016019 /nfs/dbraw/zinc/01/60/19/890016019.db2.gz NQQMJDKDRMABSB-ZRGWGRIASA-N 1 1 388.462 3.631 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(CN2CCCCC2=O)c1 ZINC000245924212 890023235 /nfs/dbraw/zinc/02/32/35/890023235.db2.gz RPMVQYMGMLDFAH-WMZHIEFXSA-N 1 1 392.547 3.917 10 0 GHAEMO O[C@H](C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1C(F)(F)F ZINC000245945051 890055360 /nfs/dbraw/zinc/05/53/60/890055360.db2.gz BIRLDXZLKAOGPZ-CXAGYDPISA-N 1 1 380.414 3.545 10 0 GHAEMO C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246529648 891282632 /nfs/dbraw/zinc/28/26/32/891282632.db2.gz CELSFVFZLYZQBJ-RIFZZMRRSA-N 1 1 386.517 3.527 10 0 GHAEMO O=C(c1cc2c(s1)CCOC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246866347 891317564 /nfs/dbraw/zinc/31/75/64/891317564.db2.gz CIAHOUDUOKQLSQ-AZUAARDMSA-N 1 1 396.556 3.948 10 0 GHAEMO Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247011758 891331790 /nfs/dbraw/zinc/33/17/90/891331790.db2.gz LPGSAUYOCOHVNQ-KBXCAEBGSA-N 1 1 390.478 3.607 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000247062730 891339687 /nfs/dbraw/zinc/33/96/87/891339687.db2.gz BOXDJSGRSAESHK-VQIMIIECSA-N 1 1 392.528 3.846 10 0 GHAEMO Cc1[nH]c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2c1C ZINC000247217965 891355777 /nfs/dbraw/zinc/35/57/77/891355777.db2.gz MVHZJSIGLFFLTQ-VFNWGFHPSA-N 1 1 376.504 3.820 10 0 GHAEMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC(C)C ZINC000247240873 891357808 /nfs/dbraw/zinc/35/78/08/891357808.db2.gz OQQTVWRVQSSDDV-FXAWDEMLSA-N 1 1 397.519 3.518 10 0 GHAEMO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCc1ccncc1 ZINC000247257659 891360727 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GHAEMO Cc1cccnc1[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247560528 891386000 /nfs/dbraw/zinc/38/60/00/891386000.db2.gz USUFQCBVLKDHQZ-HLAWJBBLSA-N 1 1 395.551 3.692 10 0 GHAEMO C[N@H+]1CC[C@H](NC(=O)Cc2coc(-c3ccc(F)cc3)n2)[C@H]1c1ccccc1 ZINC000247978753 891404153 /nfs/dbraw/zinc/40/41/53/891404153.db2.gz GVGODZRLWYDFRQ-PZJWPPBQSA-N 1 1 379.435 3.585 10 0 GHAEMO CC(C)Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1C(F)F ZINC000248049257 891407488 /nfs/dbraw/zinc/40/74/88/891407488.db2.gz NPQZDUBMAPBSRL-SJORKVTESA-N 1 1 376.451 3.652 10 0 GHAEMO O=C1Nc2ccccc2[C@@H]1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000248743067 891464752 /nfs/dbraw/zinc/46/47/52/891464752.db2.gz ANUKHDANJFUPKS-KEZQHZCBSA-N 1 1 375.516 3.898 10 0 GHAEMO Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000249079575 891493777 /nfs/dbraw/zinc/49/37/77/891493777.db2.gz SGIQRKPFQWSEMQ-QUCCMNQESA-N 1 1 394.475 3.519 10 0 GHAEMO 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3.783 10 0 GHAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000247543512 842870300 /nfs/dbraw/zinc/87/03/00/842870300.db2.gz DFHSNSGEOXQCIT-CGVQKBNFSA-N 1 1 384.568 3.556 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000247573766 842937550 /nfs/dbraw/zinc/93/75/50/842937550.db2.gz HMRPLUZIQJRENF-HKUYNNGSSA-N 1 1 397.523 3.527 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000247573766 842937555 /nfs/dbraw/zinc/93/75/55/842937555.db2.gz HMRPLUZIQJRENF-HKUYNNGSSA-N 1 1 397.523 3.527 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000162538761 843271097 /nfs/dbraw/zinc/27/10/97/843271097.db2.gz XMUQRXABWJCUAY-UHFFFAOYSA-N 1 1 398.894 3.752 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC000162661994 843295063 /nfs/dbraw/zinc/29/50/63/843295063.db2.gz VHJIIUCDCUCYOO-UHFFFAOYSA-N 1 1 398.507 3.707 10 0 GHAEMO 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396.491 3.948 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CCO1 ZINC000184175722 883327162 /nfs/dbraw/zinc/32/71/62/883327162.db2.gz SVXUZVAEOGAHHS-GFCCVEGCSA-N 1 1 390.833 3.684 10 0 GHAEMO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184514303 883350873 /nfs/dbraw/zinc/35/08/73/883350873.db2.gz FDBQVAYLLLBNIP-ISKFKSNPSA-N 1 1 395.522 3.526 10 0 GHAEMO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184514303 883350887 /nfs/dbraw/zinc/35/08/87/883350887.db2.gz FDBQVAYLLLBNIP-ISKFKSNPSA-N 1 1 395.522 3.526 10 0 GHAEMO Cc1oc2ccc(NC(=O)N3CCCC[C@@H](N4CC[NH+](C)CC4)C3)cc2c1C ZINC000186460702 883648156 /nfs/dbraw/zinc/64/81/56/883648156.db2.gz YGQVVEHVPOQWCC-LJQANCHMSA-N 1 1 384.524 3.683 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)CCO1 ZINC000105250197 886013302 /nfs/dbraw/zinc/01/33/02/886013302.db2.gz MNZQNTIOQYASCA-IIBYNOLFSA-N 1 1 389.515 3.562 10 0 GHAEMO 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207186109 /nfs/dbraw/zinc/18/61/09/207186109.db2.gz DYNNZXOHWXQNEN-NRFANRHFSA-N 1 1 379.523 3.580 10 0 GHAEMO COCCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095481 570535020 /nfs/dbraw/zinc/53/50/20/570535020.db2.gz OLGRWCBLJNVILU-IBGZPJMESA-N 1 1 381.875 3.758 10 0 GHAEMO Cc1csc(C2CC[NH+](CCCOc3ccc(S(C)(=O)=O)cc3)CC2)n1 ZINC000156782620 834553327 /nfs/dbraw/zinc/55/33/27/834553327.db2.gz LORVHCVULRJTIH-UHFFFAOYSA-N 1 1 394.562 3.504 10 0 GHAEMO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c12 ZINC000113229029 837822171 /nfs/dbraw/zinc/82/21/71/837822171.db2.gz VJAGUJYOARLFFU-GUYCJALGSA-N 1 1 394.450 3.646 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)CCCc3c[nH]c4ccccc34)CC2)[nH+]c1 ZINC000157708930 835062374 /nfs/dbraw/zinc/06/23/74/835062374.db2.gz PXHOAPYKOJTMGN-UHFFFAOYSA-N 1 1 376.504 3.979 10 0 GHAEMO CC(=O)c1ccc(OCCCC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000157806917 835106224 /nfs/dbraw/zinc/10/62/24/835106224.db2.gz OVPIBPWOEDUCSH-UHFFFAOYSA-N 1 1 395.503 3.537 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SXRWBNSEVLBXRQ-AJSBUHFISA-N 1 1 398.572 3.889 10 0 GHAEMO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367209449 868283047 /nfs/dbraw/zinc/28/30/47/868283047.db2.gz QGESFRZNFRCVTL-AWEZNQCLSA-N 1 1 378.948 3.533 10 0 GHAEMO CCOc1ccccc1CN(C)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000173368733 882357885 /nfs/dbraw/zinc/35/78/85/882357885.db2.gz ZRDRENAQWBCQNT-UHFFFAOYSA-N 1 1 382.508 3.599 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3cc4c(C(C)C)nn(C)c4s3)CC2)[nH+]c1 ZINC000173734754 882370496 /nfs/dbraw/zinc/37/04/96/882370496.db2.gz FRRDSUHLVFYIDJ-UHFFFAOYSA-N 1 1 397.548 3.860 10 0 GHAEMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000056762171 870584905 /nfs/dbraw/zinc/58/49/05/870584905.db2.gz UUWWDIVUVYQGKL-FUHWJXTLSA-N 1 1 399.457 3.804 10 0 GHAEMO CCc1cccc2c(CC(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000116242728 873365766 /nfs/dbraw/zinc/36/57/66/873365766.db2.gz JGMPHRVBCXQLLD-JTSKRJEESA-N 1 1 390.531 3.695 10 0 GHAEMO CCc1ccc(C(=O)CCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116243863 873366628 /nfs/dbraw/zinc/36/66/28/873366628.db2.gz FMQPJXYDKYVIRF-AVRDEDQJSA-N 1 1 393.531 3.634 10 0 GHAEMO CCc1ccc(C(=O)CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116243863 873366642 /nfs/dbraw/zinc/36/66/42/873366642.db2.gz FMQPJXYDKYVIRF-AVRDEDQJSA-N 1 1 393.531 3.634 10 0 GHAEMO Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116247070 873368107 /nfs/dbraw/zinc/36/81/07/873368107.db2.gz LMQKTIWWKBXQBT-OXJNMPFZSA-N 1 1 390.487 3.685 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000116569804 873567470 /nfs/dbraw/zinc/56/74/70/873567470.db2.gz IMFUNHJWLBXHPY-VGSWGCGISA-N 1 1 396.510 3.805 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N(CCC(F)(F)F)CC3CC3)CC2)[nH+]1 ZINC000177294953 882816530 /nfs/dbraw/zinc/81/65/30/882816530.db2.gz JYFYUCJHEIBPJM-UHFFFAOYSA-N 1 1 384.446 3.733 10 0 GHAEMO Cc1cccc2[nH]c(CCC(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc21 ZINC000177656394 882840217 /nfs/dbraw/zinc/84/02/17/882840217.db2.gz IAXAONCGAWOTGJ-FQEVSTJZSA-N 1 1 390.531 3.784 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c21 ZINC000177656394 882840238 /nfs/dbraw/zinc/84/02/38/882840238.db2.gz IAXAONCGAWOTGJ-FQEVSTJZSA-N 1 1 390.531 3.784 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c21 ZINC000177656394 882840259 /nfs/dbraw/zinc/84/02/59/882840259.db2.gz IAXAONCGAWOTGJ-FQEVSTJZSA-N 1 1 390.531 3.784 10 0 GHAEMO CC[C@@H](NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000180390776 883053219 /nfs/dbraw/zinc/05/32/19/883053219.db2.gz PVWGAKPVHHXKNB-VQTJNVASSA-N 1 1 392.975 3.603 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3cnc(-c4ccccc4)nc3C)CC2)[nH+]1 ZINC000121353540 876952179 /nfs/dbraw/zinc/95/21/79/876952179.db2.gz OJEFOTXOVVVLTA-UHFFFAOYSA-N 1 1 387.487 3.554 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000121878716 877920108 /nfs/dbraw/zinc/92/01/08/877920108.db2.gz XXKVLTXHHQOOIO-UHFFFAOYSA-N 1 1 383.883 3.559 10 0 GHAEMO Cc1ccc(C(=O)CCCC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000184425112 883333511 /nfs/dbraw/zinc/33/35/11/883333511.db2.gz CEIDSHXEWVGWLA-UHFFFAOYSA-N 1 1 379.504 3.837 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)CC2)CCO1 ZINC000193487920 884519136 /nfs/dbraw/zinc/51/91/36/884519136.db2.gz VUGQCWYXOIICAW-QGZVFWFLSA-N 1 1 387.524 3.725 10 0 GHAEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000105274738 884688656 /nfs/dbraw/zinc/68/86/56/884688656.db2.gz ZLBZZEOZLZRHQJ-APWZRJJASA-N 1 1 379.932 3.543 10 0 GHAEMO Cc1cc(C(=O)CN2CCC(Cc3[nH+]ccn3C)CC2)c(C)n1CC(F)(F)F ZINC000106164843 886027311 /nfs/dbraw/zinc/02/73/11/886027311.db2.gz MWBUZCWWOGPVJI-UHFFFAOYSA-N 1 1 396.457 3.538 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCSc1ccccc1F ZINC000116250059 886357817 /nfs/dbraw/zinc/35/78/17/886357817.db2.gz FALJGLSQCKJSQE-APWZRJJASA-N 1 1 387.524 3.730 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000116252961 886358265 /nfs/dbraw/zinc/35/82/65/886358265.db2.gz HGXWIRYCSAIENX-AVRDEDQJSA-N 1 1 390.531 3.912 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1F ZINC000116478612 886364310 /nfs/dbraw/zinc/36/43/10/886364310.db2.gz XBYOYBLFSBZFNR-DYVFJYSZSA-N 1 1 376.863 3.906 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000116568432 886365751 /nfs/dbraw/zinc/36/57/51/886365751.db2.gz DUQOHMHMQFINIS-JXFKEZNVSA-N 1 1 386.927 3.787 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000116568954 886367987 /nfs/dbraw/zinc/36/79/87/886367987.db2.gz BRUJFLMWIXTKIV-JXFKEZNVSA-N 1 1 386.927 3.787 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3cccc(C)c3Br)CC2)[nH+]c1 ZINC000123544410 886647885 /nfs/dbraw/zinc/64/78/85/886647885.db2.gz WCJFRBIXGRUAAY-UHFFFAOYSA-N 1 1 388.309 3.860 10 0 GHAEMO CCOc1ccc(C(=O)CCC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000124216564 886719497 /nfs/dbraw/zinc/71/94/97/886719497.db2.gz HJXAYUKPMUHNQJ-UHFFFAOYSA-N 1 1 395.503 3.537 10 0 GHAEMO C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000131628538 887562517 /nfs/dbraw/zinc/56/25/17/887562517.db2.gz CELSFVFZLYZQBJ-VPWXQRGCSA-N 1 1 386.517 3.527 10 0 GHAEMO CC(=O)N(c1nc(CN2CCC[N@H+](C3CC3)CC2)cs1)c1ccccc1F ZINC000195337705 888681479 /nfs/dbraw/zinc/68/14/79/888681479.db2.gz WDHSTHGSJLNGKC-UHFFFAOYSA-N 1 1 388.512 3.637 10 0 GHAEMO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)o2)o1 ZINC000195349957 888683438 /nfs/dbraw/zinc/68/34/38/888683438.db2.gz KJIJCQRPVCBDDO-SNVBAGLBSA-N 1 1 395.282 3.928 10 0 GHAEMO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nccs4)C3)o2)o1 ZINC000195349957 888683443 /nfs/dbraw/zinc/68/34/43/888683443.db2.gz KJIJCQRPVCBDDO-SNVBAGLBSA-N 1 1 395.282 3.928 10 0 GHAEMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195508495 888683639 /nfs/dbraw/zinc/68/36/39/888683639.db2.gz BUQHPTVZVJQLIP-GOSISDBHSA-N 1 1 398.551 3.514 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC[C@H]1c1cccn1C ZINC000245426920 888748947 /nfs/dbraw/zinc/74/89/47/888748947.db2.gz GRZQOHRVFXAFOC-CBQOVEMMSA-N 1 1 395.551 3.567 10 0 GHAEMO C[N@H+]1CC[C@@H](CNC(=O)NC2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245666757 889192382 /nfs/dbraw/zinc/19/23/82/889192382.db2.gz HFGZWDQDWVARSC-SUMWQHHRSA-N 1 1 385.936 3.667 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)NC2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245666748 889192514 /nfs/dbraw/zinc/19/25/14/889192514.db2.gz HFGZWDQDWVARSC-CXAGYDPISA-N 1 1 385.936 3.667 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245667748 889193525 /nfs/dbraw/zinc/19/35/25/889193525.db2.gz HLIDIIPNOWQQLW-GQIGUUNPSA-N 1 1 382.907 3.937 10 0 GHAEMO CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000245841857 889842008 /nfs/dbraw/zinc/84/20/08/889842008.db2.gz JYDWFPIXUUNTHB-UZLBHIALSA-N 1 1 383.540 3.588 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000245928403 890033396 /nfs/dbraw/zinc/03/33/96/890033396.db2.gz TXFPPJGNIAALOC-LAUBAEHRSA-N 1 1 375.476 3.986 10 0 GHAEMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1OCc1ccncc1 ZINC000247044950 891337471 /nfs/dbraw/zinc/33/74/71/891337471.db2.gz UVNIBRKOAACDPK-WIYYLYMNSA-N 1 1 392.503 3.949 10 0 GHAEMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000247072513 891342630 /nfs/dbraw/zinc/34/26/30/891342630.db2.gz YMWKTYHPRWTTLJ-UGKGYDQZSA-N 1 1 392.499 3.659 10 0 GHAEMO Cc1nc(-c2ccco2)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247197613 891352753 /nfs/dbraw/zinc/35/27/53/891352753.db2.gz LMQKTIWWKBXQBT-UZLBHIALSA-N 1 1 390.487 3.685 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000248125104 891410502 /nfs/dbraw/zinc/41/05/02/891410502.db2.gz NUNWABXHCAWRJF-WIYYLYMNSA-N 1 1 392.503 3.887 10 0 GHAEMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)[C@H]1c1ccccc1 ZINC000248141943 891411986 /nfs/dbraw/zinc/41/19/86/891411986.db2.gz YQYJMXNJWRKGHC-WOJBJXKFSA-N 1 1 378.476 3.602 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)CC[C@H]21 ZINC000248149621 891412748 /nfs/dbraw/zinc/41/27/48/891412748.db2.gz QQOHSCDWQREVNC-WIYYLYMNSA-N 1 1 398.551 3.697 10 0 GHAEMO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CCCO2 ZINC000248458541 891438107 /nfs/dbraw/zinc/43/81/07/891438107.db2.gz UVMOBEUJPGNJSF-NZQKXSOJSA-N 1 1 396.531 3.655 10 0 GHAEMO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CCCO2 ZINC000248458541 891438112 /nfs/dbraw/zinc/43/81/12/891438112.db2.gz UVMOBEUJPGNJSF-NZQKXSOJSA-N 1 1 396.531 3.655 10 0 GHAEMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2ccncn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248681112 891457129 /nfs/dbraw/zinc/45/71/29/891457129.db2.gz WLZAHSAYOMHIOV-AZUAARDMSA-N 1 1 390.890 3.542 10 0 GHAEMO CC(C)[N@H+]1CC[C@H](NC(=O)CCc2ccncn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248681112 891457134 /nfs/dbraw/zinc/45/71/34/891457134.db2.gz WLZAHSAYOMHIOV-AZUAARDMSA-N 1 1 390.890 3.542 10 0 GHAEMO CC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000248795122 891470045 /nfs/dbraw/zinc/47/00/45/891470045.db2.gz JCMHXFXBMDAEOV-IERDGZPVSA-N 1 1 380.492 3.595 10 0 GHAEMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccncc1 ZINC000249381039 891504607 /nfs/dbraw/zinc/50/46/07/891504607.db2.gz VDGGNXJRZMQFJE-BMGDILEWSA-N 1 1 377.410 3.569 10 0 GHAEMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Br)ncc2Cl)[C@H]1c1ccccc1 ZINC000251723025 891641247 /nfs/dbraw/zinc/64/12/47/891641247.db2.gz LWJFAYOCZLTRDZ-GDBMZVCRSA-N 1 1 394.700 3.673 10 0 GHAEMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cc1CO ZINC000015064184 207041930 /nfs/dbraw/zinc/04/19/30/207041930.db2.gz AIZWLCRYRJNRPB-HXUWFJFHSA-N 1 1 398.503 3.771 10 0 GHAEMO CCN1CCC([N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)CC1 ZINC000019222134 207108131 /nfs/dbraw/zinc/10/81/31/207108131.db2.gz GREOZSGUGSNWLG-JOCHJYFZSA-N 1 1 377.523 3.737 10 0 GHAEMO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)CC1 ZINC000020295139 207186462 /nfs/dbraw/zinc/18/64/62/207186462.db2.gz DYNNZXOHWXQNEN-OAQYLSRUSA-N 1 1 379.523 3.580 10 0 GHAEMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020598594 207204922 /nfs/dbraw/zinc/20/49/22/207204922.db2.gz ZMQFCKIBCBKDMS-IBGZPJMESA-N 1 1 376.460 3.590 10 0 GHAEMO C[N@@H+](Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075200 208152493 /nfs/dbraw/zinc/15/24/93/208152493.db2.gz DNWYAOUQCNWDPP-LBPRGKRZSA-N 1 1 389.327 3.862 10 0 GHAEMO C[N@H+](Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075200 208152498 /nfs/dbraw/zinc/15/24/98/208152498.db2.gz DNWYAOUQCNWDPP-LBPRGKRZSA-N 1 1 389.327 3.862 10 0 GHAEMO CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)C[N@@H+]1CCC(=O)NC ZINC000091563437 136176739 /nfs/dbraw/zinc/17/67/39/136176739.db2.gz GZZKUTRSWCGTLR-QFIPXVFZSA-N 1 1 393.531 3.697 10 0 GHAEMO CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)C[N@H+]1CCC(=O)NC ZINC000091563437 136176740 /nfs/dbraw/zinc/17/67/40/136176740.db2.gz 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TVVWHDLCTQEGAI-WMLDXEAASA-N 1 1 378.270 3.733 10 0 GHAEMO CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N2CCC(c3nccs3)CC2)cc[nH+]1 ZINC000329692206 862094000 /nfs/dbraw/zinc/09/40/00/862094000.db2.gz GUIMHDXGDBSKLX-FUHWJXTLSA-N 1 1 387.553 3.933 10 0 GHAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000329746440 862286410 /nfs/dbraw/zinc/28/64/10/862286410.db2.gz YUUYBGYTPLKQGK-YJBOKZPZSA-N 1 1 382.508 3.634 10 0 GHAEMO Brc1cccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000333871647 851883987 /nfs/dbraw/zinc/88/39/87/851883987.db2.gz UQQMIRQDEKPSGN-QKPAOTATSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1cccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000333871647 851883997 /nfs/dbraw/zinc/88/39/97/851883997.db2.gz UQQMIRQDEKPSGN-QKPAOTATSA-N 1 1 390.281 3.639 10 0 GHAEMO CCCN(C(=O)NCc1cccc(C)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000101797813 851916124 /nfs/dbraw/zinc/91/61/24/851916124.db2.gz BVVYJNLLKMZWGL-QFIPXVFZSA-N 1 1 380.536 3.976 10 0 GHAEMO Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000171652401 853537255 /nfs/dbraw/zinc/53/72/55/853537255.db2.gz LECCVPLJJWNLMT-ZIBZSVMVSA-N 1 1 396.579 3.597 10 0 GHAEMO Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000171652401 853537270 /nfs/dbraw/zinc/53/72/70/853537270.db2.gz LECCVPLJJWNLMT-ZIBZSVMVSA-N 1 1 396.579 3.597 10 0 GHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000246895363 854447346 /nfs/dbraw/zinc/44/73/46/854447346.db2.gz HCKWTRXJDYRYND-UXHICEINSA-N 1 1 396.535 3.878 10 0 GHAEMO CCc1cc2c(ncnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)s1 ZINC000328967400 854635476 /nfs/dbraw/zinc/63/54/76/854635476.db2.gz TVVACCKXEFROOL-KBXCAEBGSA-N 1 1 384.553 3.507 10 0 GHAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000252443914 860482871 /nfs/dbraw/zinc/48/28/71/860482871.db2.gz QJOOJENKZRNEGC-JXFKEZNVSA-N 1 1 378.476 3.639 10 0 GHAEMO 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ZINC000329625124 861814507 /nfs/dbraw/zinc/81/45/07/861814507.db2.gz OLPHAHLTOHIESH-MOPGFXCFSA-N 1 1 394.519 3.540 10 0 GHAEMO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526156 853138057 /nfs/dbraw/zinc/13/80/57/853138057.db2.gz FRRKIMATOHZUGU-SFTDATJTSA-N 1 1 395.551 3.576 10 0 GHAEMO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526156 853138060 /nfs/dbraw/zinc/13/80/60/853138060.db2.gz FRRKIMATOHZUGU-SFTDATJTSA-N 1 1 395.551 3.576 10 0 GHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000162826762 855225941 /nfs/dbraw/zinc/22/59/41/855225941.db2.gz VLACMABTQQBRRH-CYBMUJFWSA-N 1 1 388.320 3.660 10 0 GHAEMO COc1ccccc1CC1CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000102410513 860263042 /nfs/dbraw/zinc/26/30/42/860263042.db2.gz YKUGFHMGKPXNMY-QGZVFWFLSA-N 1 1 384.524 3.754 10 0 GHAEMO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000102694499 860819492 /nfs/dbraw/zinc/81/94/92/860819492.db2.gz ALEVKPYWHVRVNO-UHFFFAOYSA-N 1 1 377.492 3.671 10 0 GHAEMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000329064391 860987852 /nfs/dbraw/zinc/98/78/52/860987852.db2.gz KMTGNKNTGYUCHF-SJLPKXTDSA-N 1 1 385.508 3.680 10 0 GHAEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000103285808 863939189 /nfs/dbraw/zinc/93/91/89/863939189.db2.gz ZWIDGHALHOPFSR-DOTOQJQBSA-N 1 1 396.922 3.824 10 0 GHAEMO COC(=O)c1cc(F)ccc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000103479947 864017323 /nfs/dbraw/zinc/01/73/23/864017323.db2.gz UDZZPQYPTZOGGD-UHFFFAOYSA-N 1 1 388.414 3.602 10 0 GHAEMO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1Cn1cccn1 ZINC000168016322 865085545 /nfs/dbraw/zinc/08/55/45/865085545.db2.gz VAVKJNDMBIOICI-VQIMIIECSA-N 1 1 394.523 3.841 10 0 GHAEMO O=C(C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)NC1CCCCC1 ZINC000102401014 865117124 /nfs/dbraw/zinc/11/71/24/865117124.db2.gz JIWOIGHOQZCZSH-MRXNPFEDSA-N 1 1 386.471 3.504 10 0 GHAEMO O=C(C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)NC1CCCCC1 ZINC000102401014 865117130 /nfs/dbraw/zinc/11/71/30/865117130.db2.gz JIWOIGHOQZCZSH-MRXNPFEDSA-N 1 1 386.471 3.504 10 0 GHAEMO CC(=O)N(c1nc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cs1)c1ccc(F)cc1 ZINC000172067898 882167134 /nfs/dbraw/zinc/16/71/34/882167134.db2.gz LPJGPLWKEFGHBC-PMACEKPBSA-N 1 1 397.475 3.715 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)C2)CC1 ZINC000091846416 882186997 /nfs/dbraw/zinc/18/69/97/882186997.db2.gz SNAJPBBBHCMFGX-RTWAWAEBSA-N 1 1 386.584 3.585 10 0 GHAEMO CCc1nccn1[C@@H]1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)C1 ZINC000153055817 869043114 /nfs/dbraw/zinc/04/31/14/869043114.db2.gz WBOCDEFNFABMBE-RBUKOAKNSA-N 1 1 389.588 3.693 10 0 GHAEMO Cc1nc(C)c([C@H](C)N(C)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000173372763 882358003 /nfs/dbraw/zinc/35/80/03/882358003.db2.gz NIZNTOSVNCWQFA-HNNXBMFYSA-N 1 1 387.553 3.835 10 0 GHAEMO Cc1cc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)ccc1C(F)(F)F ZINC000174295768 882445626 /nfs/dbraw/zinc/44/56/26/882445626.db2.gz LDNKLNGNNNGUJV-AWEZNQCLSA-N 1 1 385.430 3.731 10 0 GHAEMO O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCC[N@H+](C2CC2)CC1 ZINC000174390954 882461823 /nfs/dbraw/zinc/46/18/23/882461823.db2.gz IUBXCANAUOKXFC-UHFFFAOYSA-N 1 1 388.924 3.592 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1csc(-c2ccsc2)n1 ZINC000116245162 873365678 /nfs/dbraw/zinc/36/56/78/873365678.db2.gz BWAVIOXDKVISQF-PBHICJAKSA-N 1 1 398.557 3.907 10 0 GHAEMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000102695581 873463028 /nfs/dbraw/zinc/46/30/28/873463028.db2.gz SWFQKHADWRGMAS-INIZCTEOSA-N 1 1 383.492 3.593 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1Cl ZINC000116475424 873512885 /nfs/dbraw/zinc/51/28/85/873512885.db2.gz BNYFQSFWMSJQNN-DYVFJYSZSA-N 1 1 376.863 3.906 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3ccc(Oc4cccnc4)cc3)CC2)[nH+]1 ZINC000116667235 873614473 /nfs/dbraw/zinc/61/44/73/873614473.db2.gz XUTROQJGHVJGCB-UHFFFAOYSA-N 1 1 388.471 3.976 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)[nH+]1 ZINC000116938776 873794638 /nfs/dbraw/zinc/79/46/38/873794638.db2.gz DVUJCUGJFAEZSL-HOCLYGCPSA-N 1 1 384.446 3.779 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000119128539 874938553 /nfs/dbraw/zinc/93/85/53/874938553.db2.gz YWZDSIWQPSICRQ-SJCJKPOMSA-N 1 1 378.398 3.531 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3Cl)CC2)[nH+]1 ZINC000178553417 882901708 /nfs/dbraw/zinc/90/17/08/882901708.db2.gz PPDMKEQTAIMPLA-UHFFFAOYSA-N 1 1 398.816 3.856 10 0 GHAEMO C[N@H+](Cc1ccc(F)cc1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604277 875346525 /nfs/dbraw/zinc/34/65/25/875346525.db2.gz RIODNLQHRMJDBJ-UHFFFAOYSA-N 1 1 375.241 3.993 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000180107452 883020499 /nfs/dbraw/zinc/02/04/99/883020499.db2.gz UENHIRVGEDNXQQ-HXUWFJFHSA-N 1 1 392.547 3.572 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)CCCCCc3ccc(F)cc3)CC2)CCO1 ZINC000189372564 883941984 /nfs/dbraw/zinc/94/19/84/883941984.db2.gz QRVKNELVDFFNAA-GOSISDBHSA-N 1 1 376.516 3.640 10 0 GHAEMO CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000191713735 884205582 /nfs/dbraw/zinc/20/55/82/884205582.db2.gz GKQUVJNSWLWUJL-LAUBAEHRSA-N 1 1 397.519 3.519 10 0 GHAEMO CCCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116568682 886365203 /nfs/dbraw/zinc/36/52/03/886365203.db2.gz FEUJMNDZCFICDD-UGKGYDQZSA-N 1 1 380.536 3.914 10 0 GHAEMO COc1ccccc1C(C)(C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116544790 886366348 /nfs/dbraw/zinc/36/63/48/886366348.db2.gz NUCBYJLFZQLJLH-PXNSSMCTSA-N 1 1 396.535 3.535 10 0 GHAEMO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000120823041 886532105 /nfs/dbraw/zinc/53/21/05/886532105.db2.gz WUMCYBPINHNTIO-WBVHZDCISA-N 1 1 381.480 3.937 10 0 GHAEMO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000120823041 886532119 /nfs/dbraw/zinc/53/21/19/886532119.db2.gz WUMCYBPINHNTIO-WBVHZDCISA-N 1 1 381.480 3.937 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000127194215 887037880 /nfs/dbraw/zinc/03/78/80/887037880.db2.gz QUUXKNLOVXBEHG-APWZRJJASA-N 1 1 391.475 3.769 10 0 GHAEMO COc1cc(OC)cc([C@@H](O)CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245728356 889515776 /nfs/dbraw/zinc/51/57/76/889515776.db2.gz PVULUVAMEKFTBL-XARGGIHNSA-N 1 1 396.531 3.522 10 0 GHAEMO COc1cc(OC)cc([C@@H](O)CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245728356 889515790 /nfs/dbraw/zinc/51/57/90/889515790.db2.gz PVULUVAMEKFTBL-XARGGIHNSA-N 1 1 396.531 3.522 10 0 GHAEMO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245728356 889515804 /nfs/dbraw/zinc/51/58/04/889515804.db2.gz PVULUVAMEKFTBL-XARGGIHNSA-N 1 1 396.531 3.522 10 0 GHAEMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(O)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245736038 889567737 /nfs/dbraw/zinc/56/77/37/889567737.db2.gz UTELNCOXDUQUMN-MGPUTAFESA-N 1 1 376.859 3.536 10 0 GHAEMO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccncc1 ZINC000245759142 889658036 /nfs/dbraw/zinc/65/80/36/889658036.db2.gz ZAILFJQHLPKXPK-AXHNFQJDSA-N 1 1 390.890 3.927 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000245928398 890032953 /nfs/dbraw/zinc/03/29/53/890032953.db2.gz TXFPPJGNIAALOC-DYESRHJHSA-N 1 1 375.476 3.986 10 0 GHAEMO O[C@@H](C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1C(F)(F)F ZINC000245945054 890055621 /nfs/dbraw/zinc/05/56/21/890055621.db2.gz BIRLDXZLKAOGPZ-DYVFJYSZSA-N 1 1 380.414 3.545 10 0 GHAEMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246091120 890342318 /nfs/dbraw/zinc/34/23/18/890342318.db2.gz NCOLKBWXNPHCRQ-SJLPKXTDSA-N 1 1 389.503 3.973 10 0 GHAEMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246091120 890342336 /nfs/dbraw/zinc/34/23/36/890342336.db2.gz NCOLKBWXNPHCRQ-SJLPKXTDSA-N 1 1 389.503 3.973 10 0 GHAEMO Cn1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000246094305 890353460 /nfs/dbraw/zinc/35/34/60/890353460.db2.gz IVEVHAMBPYQCKT-NHCUHLMSSA-N 1 1 380.467 3.709 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000246228682 890780286 /nfs/dbraw/zinc/78/02/86/890780286.db2.gz WTWBBQJVPCUNNT-HRAATJIYSA-N 1 1 387.474 3.709 10 0 GHAEMO CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)c2C1 ZINC000066761296 891128802 /nfs/dbraw/zinc/12/88/02/891128802.db2.gz SXTOOJFSKYSJHB-LJQANCHMSA-N 1 1 381.501 3.854 10 0 GHAEMO CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)c2C1 ZINC000066761296 891128805 /nfs/dbraw/zinc/12/88/05/891128805.db2.gz SXTOOJFSKYSJHB-LJQANCHMSA-N 1 1 381.501 3.854 10 0 GHAEMO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)nc21 ZINC000246408716 891230260 /nfs/dbraw/zinc/23/02/60/891230260.db2.gz RFYYBWCNMJMFED-MOPGFXCFSA-N 1 1 382.552 3.917 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)[nH]c21 ZINC000246408716 891230275 /nfs/dbraw/zinc/23/02/75/891230275.db2.gz RFYYBWCNMJMFED-MOPGFXCFSA-N 1 1 382.552 3.917 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)[nH]c21 ZINC000246408716 891230280 /nfs/dbraw/zinc/23/02/80/891230280.db2.gz RFYYBWCNMJMFED-MOPGFXCFSA-N 1 1 382.552 3.917 10 0 GHAEMO COCCCOc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000246439243 891240489 /nfs/dbraw/zinc/24/04/89/891240489.db2.gz DGXNLQPXBZAFRI-MOPGFXCFSA-N 1 1 375.513 3.581 10 0 GHAEMO C[C@H](O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000246517884 891283454 /nfs/dbraw/zinc/28/34/54/891283454.db2.gz OJFUIMFOBGNTBE-KGVIQGDOSA-N 1 1 381.520 3.592 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)CC[C@H]21 ZINC000247024717 891334547 /nfs/dbraw/zinc/33/45/47/891334547.db2.gz QNBPKZFHEATKME-IUODEOHRSA-N 1 1 389.849 3.713 10 0 GHAEMO Cc1nnc(-c2ccccc2C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000247072370 891341488 /nfs/dbraw/zinc/34/14/88/891341488.db2.gz QFWYQKDXULPXMX-SJLPKXTDSA-N 1 1 382.508 3.772 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000247074008 891342062 /nfs/dbraw/zinc/34/20/62/891342062.db2.gz CKVZLAARVQCCEV-HTAPYJJXSA-N 1 1 379.504 3.511 10 0 GHAEMO CCc1cccc2c(CC(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c[nH]c21 ZINC000247165507 891350677 /nfs/dbraw/zinc/35/06/77/891350677.db2.gz JGMPHRVBCXQLLD-VGOFRKELSA-N 1 1 390.531 3.695 10 0 GHAEMO COc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000247305920 891365110 /nfs/dbraw/zinc/36/51/10/891365110.db2.gz ZYQLLERLRCOLFU-JKSUJKDBSA-N 1 1 377.506 3.862 10 0 GHAEMO COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247569973 891387311 /nfs/dbraw/zinc/38/73/11/891387311.db2.gz WKSBKFIEZLLGSG-KGVIQGDOSA-N 1 1 396.535 3.703 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000248169524 891414426 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RVAMSOZMCYQEJG-DOTOQJQBSA-N 1 1 385.533 3.794 10 0 GHAEMO CCOc1cc(CN2CCC[C@H]([N@@H+](CC)Cc3ccncc3)C2)ccc1OC ZINC000019741209 207158495 /nfs/dbraw/zinc/15/84/95/207158495.db2.gz BSOSVDKLNUNTFS-NRFANRHFSA-N 1 1 383.536 3.975 10 0 GHAEMO CCOc1cc(C[N@@H+]2CCC[C@H](N(CC)Cc3ccncc3)C2)ccc1OC ZINC000019741209 207158499 /nfs/dbraw/zinc/15/84/99/207158499.db2.gz BSOSVDKLNUNTFS-NRFANRHFSA-N 1 1 383.536 3.975 10 0 GHAEMO CCOc1cc(C[N@H+]2CCC[C@H](N(CC)Cc3ccncc3)C2)ccc1OC ZINC000019741209 207158502 /nfs/dbraw/zinc/15/85/02/207158502.db2.gz BSOSVDKLNUNTFS-NRFANRHFSA-N 1 1 383.536 3.975 10 0 GHAEMO C[N@H+](Cc1ccc(Br)nc1)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075345 208152798 /nfs/dbraw/zinc/15/27/98/208152798.db2.gz VVYMITYPMBRULD-CQSZACIVSA-N 1 1 384.318 3.675 10 0 GHAEMO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccccc4C)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000011843420 570587662 /nfs/dbraw/zinc/58/76/62/570587662.db2.gz JXVMWOZNJBJMDP-APTRMMRNSA-N 1 1 376.500 3.942 10 0 GHAEMO 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HABKFUAMHDRSCL-UHFFFAOYSA-N 1 1 389.503 3.608 10 0 GHAEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000128534355 876042544 /nfs/dbraw/zinc/04/25/44/876042544.db2.gz KJAKAVMLDKEQPQ-JTQLQIEISA-N 1 1 394.349 3.840 10 0 GHAEMO Cc1cc([C@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000180576732 883081423 /nfs/dbraw/zinc/08/14/23/883081423.db2.gz LVRMIWXYVZEAGO-HOTGVXAUSA-N 1 1 381.358 3.909 10 0 GHAEMO Cc1nc(-c2cccc(NC(=O)N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)c2)oc1C ZINC000098028528 883203950 /nfs/dbraw/zinc/20/39/50/883203950.db2.gz WGNIELFPQIIQIF-OAHLLOKOSA-N 1 1 398.507 3.675 10 0 GHAEMO CCn1cnnc1-c1cccc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000182859667 883245790 /nfs/dbraw/zinc/24/57/90/883245790.db2.gz HPIODDJDLQSTDC-LAUBAEHRSA-N 1 1 376.508 3.683 10 0 GHAEMO CSc1c(F)cc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1F ZINC000184390953 883347855 /nfs/dbraw/zinc/34/78/55/883347855.db2.gz FDJHOZPKRJBAIM-UHFFFAOYSA-N 1 1 380.464 3.907 10 0 GHAEMO Cn1cc(C[NH2+]Cc2c(F)cc(Br)cc2F)c(-c2cccnc2)n1 ZINC000186553649 883662777 /nfs/dbraw/zinc/66/27/77/883662777.db2.gz KIAOAFMVDGXNMV-UHFFFAOYSA-N 1 1 393.235 3.813 10 0 GHAEMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000102695942 884281445 /nfs/dbraw/zinc/28/14/45/884281445.db2.gz MXFBYTDNUZDSAG-ZIAGYGMSSA-N 1 1 376.884 3.885 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000116467570 886361416 /nfs/dbraw/zinc/36/14/16/886361416.db2.gz BSHDQBMYFYTEFS-KXBFYZLASA-N 1 1 394.906 3.924 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Nc3ccccc3OCC(F)F)CC2)[nH+]1 ZINC000120185840 886504479 /nfs/dbraw/zinc/50/44/79/886504479.db2.gz YTFNUJXNWNOSHY-UHFFFAOYSA-N 1 1 390.434 3.824 10 0 GHAEMO COc1ccc(-c2cncc(C(=O)N3CCC(Cc4[nH+]ccn4C)CC3)c2)cc1 ZINC000121892097 886570345 /nfs/dbraw/zinc/57/03/45/886570345.db2.gz FLMZUKAQUOADNT-UHFFFAOYSA-N 1 1 390.487 3.586 10 0 GHAEMO CCSc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000125792019 886899415 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10 0 GHAEMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nccs4)C3)n2)c(OC)c1 ZINC000195441480 888665148 /nfs/dbraw/zinc/66/51/48/888665148.db2.gz FYWGADNMVILWFJ-ZDUSSCGKSA-N 1 1 386.477 3.590 10 0 GHAEMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nccs4)C3)n2)c(OC)c1 ZINC000195441480 888665155 /nfs/dbraw/zinc/66/51/55/888665155.db2.gz FYWGADNMVILWFJ-ZDUSSCGKSA-N 1 1 386.477 3.590 10 0 GHAEMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195508862 888683326 /nfs/dbraw/zinc/68/33/26/888683326.db2.gz PGUNYBHFTKFUFI-ROUUACIJSA-N 1 1 398.551 3.596 10 0 GHAEMO Cc1nn(C)c(C)c1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245559478 888942136 /nfs/dbraw/zinc/94/21/36/888942136.db2.gz IEHMKJCUHDOOMQ-MJGOQNOKSA-N 1 1 392.906 3.783 10 0 GHAEMO Cc1nn(C)c(C)c1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245559478 888942150 /nfs/dbraw/zinc/94/21/50/888942150.db2.gz IEHMKJCUHDOOMQ-MJGOQNOKSA-N 1 1 392.906 3.783 10 0 GHAEMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccnc1 ZINC000245643447 889145940 /nfs/dbraw/zinc/14/59/40/889145940.db2.gz ARXOLDXQLOCPNI-CRFBAAHOSA-N 1 1 375.875 3.787 10 0 GHAEMO CN(C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000245691830 889239869 /nfs/dbraw/zinc/23/98/69/889239869.db2.gz LXRXNVJRZYVYID-JKIFEVAISA-N 1 1 385.936 3.619 10 0 GHAEMO Cc1cc(CN(C)C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000245706016 889336308 /nfs/dbraw/zinc/33/63/08/889336308.db2.gz OFWBHYYGMJDNRB-KDOFPFPSSA-N 1 1 394.878 3.610 10 0 GHAEMO CC(=O)N(c1nc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cs1)c1ccccc1 ZINC000245850231 889860684 /nfs/dbraw/zinc/86/06/84/889860684.db2.gz BEBCYWGNXSYKCT-FXAWDEMLSA-N 1 1 384.549 3.744 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(CN2CCCCC2=O)c1 ZINC000245924207 890022736 /nfs/dbraw/zinc/02/27/36/890022736.db2.gz RPMVQYMGMLDFAH-AUSIDOKSSA-N 1 1 392.547 3.917 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000246371834 891081621 /nfs/dbraw/zinc/08/16/21/891081621.db2.gz QUUXKNLOVXBEHG-VQIMIIECSA-N 1 1 391.475 3.769 10 0 GHAEMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccnn3C3CCCC3)cc2)C[C@@H](C)O1 ZINC000106031716 891216119 /nfs/dbraw/zinc/21/61/19/891216119.db2.gz DFOGUQXCDUPAKO-IAGOWNOFSA-N 1 1 382.508 3.860 10 0 GHAEMO Cc1noc(-c2ccccc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000246419277 891231176 /nfs/dbraw/zinc/23/11/76/891231176.db2.gz BSPQDTSXQUMLAI-QFBILLFUSA-N 1 1 390.487 3.828 10 0 GHAEMO O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000246547079 891286088 /nfs/dbraw/zinc/28/60/88/891286088.db2.gz WGJLDALWNTXXND-HNAYVOBHSA-N 1 1 392.952 3.853 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000247028506 891334493 /nfs/dbraw/zinc/33/44/93/891334493.db2.gz NHEJDSQVOZXEAW-HTAPYJJXSA-N 1 1 396.510 3.805 10 0 GHAEMO C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247044315 891337307 /nfs/dbraw/zinc/33/73/07/891337307.db2.gz YDMKMMNRHRHNIY-KGVIQGDOSA-N 1 1 383.511 3.816 10 0 GHAEMO Cc1cccc(CSCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247191581 891353542 /nfs/dbraw/zinc/35/35/42/891353542.db2.gz LENADAWMGFEWLA-WIYYLYMNSA-N 1 1 383.561 3.650 10 0 GHAEMO CCS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247335465 891367796 /nfs/dbraw/zinc/36/77/96/891367796.db2.gz NDGRKUMHHGXAOE-BWPNAZKDSA-N 1 1 390.597 3.656 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000247557514 891384643 /nfs/dbraw/zinc/38/46/43/891384643.db2.gz UGBVZFXQGPRHSP-AUUYWEPGSA-N 1 1 390.890 3.584 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000247744702 891394770 /nfs/dbraw/zinc/39/47/70/891394770.db2.gz XTOXEYJVCOESLI-MDASCCDHSA-N 1 1 396.453 3.521 10 0 GHAEMO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1N1CCOC1=O ZINC000248986572 891486062 /nfs/dbraw/zinc/48/60/62/891486062.db2.gz FCXTYTZWPGYRMU-QUCCMNQESA-N 1 1 394.475 3.519 10 0 GHAEMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249926392 891532062 /nfs/dbraw/zinc/53/20/62/891532062.db2.gz ZZMAKYKYYNJZJG-IAGOWNOFSA-N 1 1 384.549 3.950 10 0 GHAEMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249926392 891532064 /nfs/dbraw/zinc/53/20/64/891532064.db2.gz ZZMAKYKYYNJZJG-IAGOWNOFSA-N 1 1 384.549 3.950 10 0 GHAEMO Cc1cccc2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)oc21 ZINC000333532427 902168068 /nfs/dbraw/zinc/16/80/68/902168068.db2.gz YGIRJFVDRHJQHY-FXAWDEMLSA-N 1 1 380.492 3.630 10 0 GHAEMO c1nc2c(ncnc2N2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000003613381 206292440 /nfs/dbraw/zinc/29/24/40/206292440.db2.gz IDZZPIGRJYPIIM-UHFFFAOYSA-N 1 1 398.514 3.649 10 0 GHAEMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000015079160 207046594 /nfs/dbraw/zinc/04/65/94/207046594.db2.gz KGQPHLGPDBGYCM-QGZVFWFLSA-N 1 1 389.455 3.762 10 0 GHAEMO COc1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@@H]3[C@@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]12 ZINC000095801873 222360579 /nfs/dbraw/zinc/36/05/79/222360579.db2.gz YRWVTQHOXFHJIY-SUYCEMCWSA-N 1 1 382.460 3.535 10 0 GHAEMO COc1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@@H]3[C@@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]12 ZINC000095801873 222360582 /nfs/dbraw/zinc/36/05/82/222360582.db2.gz YRWVTQHOXFHJIY-SUYCEMCWSA-N 1 1 382.460 3.535 10 0 GHAEMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(n2cncn2)CC1 ZINC000156576567 834439764 /nfs/dbraw/zinc/43/97/64/834439764.db2.gz DZFMFMALJXHUPJ-SFHVURJKSA-N 1 1 389.503 3.533 10 0 GHAEMO Cc1csc(C2CC[NH+]([C@H](C)C(=O)N[C@H]3CCOc4ccccc43)CC2)n1 ZINC000156680039 834499507 /nfs/dbraw/zinc/49/95/07/834499507.db2.gz HOAYTYGQNBRRKD-QAPCUYQASA-N 1 1 385.533 3.659 10 0 GHAEMO CC(C)[C@H](NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000198186067 834852274 /nfs/dbraw/zinc/85/22/74/834852274.db2.gz NRXBKHUMRGTGNV-QHCPKHFHSA-N 1 1 399.579 3.615 10 0 GHAEMO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c12 ZINC000113227475 837822292 /nfs/dbraw/zinc/82/22/92/837822292.db2.gz TWXRURSUMRBHGB-YOEHRIQHSA-N 1 1 395.551 3.681 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3cc(F)ccc3Br)CC2)[nH+]c1 ZINC000157732219 835065859 /nfs/dbraw/zinc/06/58/59/835065859.db2.gz DHXWNCNWJPZGHB-UHFFFAOYSA-N 1 1 392.272 3.690 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)[C@H]3CCCO[C@H]3c3ccccc3)CC2)[nH+]c1 ZINC000157759764 835076826 /nfs/dbraw/zinc/07/68/26/835076826.db2.gz HNAIMYUHFZFVJH-UNMCSNQZSA-N 1 1 379.504 3.643 10 0 GHAEMO CN(C)c1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1Cl ZINC000157947559 835164759 /nfs/dbraw/zinc/16/47/59/835164759.db2.gz UDJPMNVRSDUHTA-UHFFFAOYSA-N 1 1 375.904 3.626 10 0 GHAEMO COC(=O)[C@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1cccc(Br)c1 ZINC000158851622 835557469 /nfs/dbraw/zinc/55/74/69/835557469.db2.gz JPPFWYVGUWZRHV-QGZVFWFLSA-N 1 1 375.266 3.721 10 0 GHAEMO Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000246121032 835968770 /nfs/dbraw/zinc/96/87/70/835968770.db2.gz LECCVPLJJWNLMT-RLCONPJJSA-N 1 1 396.579 3.597 10 0 GHAEMO Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000246121032 835968780 /nfs/dbraw/zinc/96/87/80/835968780.db2.gz LECCVPLJJWNLMT-RLCONPJJSA-N 1 1 396.579 3.597 10 0 GHAEMO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000328695558 838674321 /nfs/dbraw/zinc/67/43/21/838674321.db2.gz DCJNYUZOQSJPDY-KBRIMQKVSA-N 1 1 396.318 3.708 10 0 GHAEMO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000328695558 838674327 /nfs/dbraw/zinc/67/43/27/838674327.db2.gz DCJNYUZOQSJPDY-KBRIMQKVSA-N 1 1 396.318 3.708 10 0 GHAEMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330141365 839920823 /nfs/dbraw/zinc/92/08/23/839920823.db2.gz PYRISFJXTFDOIK-LLGFUMIMSA-N 1 1 391.581 3.824 10 0 GHAEMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330141365 839920826 /nfs/dbraw/zinc/92/08/26/839920826.db2.gz PYRISFJXTFDOIK-LLGFUMIMSA-N 1 1 391.581 3.824 10 0 GHAEMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(n2cncn2)CC1 ZINC000109699447 840523629 /nfs/dbraw/zinc/52/36/29/840523629.db2.gz FGPVFCBSQYOPSU-GFCCVEGCSA-N 1 1 392.385 3.745 10 0 GHAEMO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000328959196 843198459 /nfs/dbraw/zinc/19/84/59/843198459.db2.gz OWWYDQMSODKPPE-VXKWHMMOSA-N 1 1 396.535 3.710 10 0 GHAEMO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000328959196 843198466 /nfs/dbraw/zinc/19/84/66/843198466.db2.gz OWWYDQMSODKPPE-VXKWHMMOSA-N 1 1 396.535 3.710 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000162378961 843242771 /nfs/dbraw/zinc/24/27/71/843242771.db2.gz VZMRWSXGKKOHIT-UHFFFAOYSA-N 1 1 383.883 3.559 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000162446713 843253608 /nfs/dbraw/zinc/25/36/08/843253608.db2.gz RUVHEZDLWXAEMM-UHFFFAOYSA-N 1 1 396.716 3.931 10 0 GHAEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000329075154 847568293 /nfs/dbraw/zinc/56/82/93/847568293.db2.gz AIESVDJCIWZZCX-CQSZACIVSA-N 1 1 384.524 3.713 10 0 GHAEMO Cc1cn2c(C[NH+]3CCC(NC(=O)c4ccccc4C)CC3)c(C)nc2s1 ZINC000153290870 848337415 /nfs/dbraw/zinc/33/74/15/848337415.db2.gz FHONZIINTFNYKK-UHFFFAOYSA-N 1 1 382.533 3.715 10 0 GHAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000329746439 862286521 /nfs/dbraw/zinc/28/65/21/862286521.db2.gz YUUYBGYTPLKQGK-QAPCUYQASA-N 1 1 382.508 3.634 10 0 GHAEMO CC(C)c1csc([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000127651191 855053645 /nfs/dbraw/zinc/05/36/45/855053645.db2.gz XHODDIGOJQDWIS-AWEZNQCLSA-N 1 1 387.505 3.813 10 0 GHAEMO CC(C)c1csc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000127651191 855053653 /nfs/dbraw/zinc/05/36/53/855053653.db2.gz XHODDIGOJQDWIS-AWEZNQCLSA-N 1 1 387.505 3.813 10 0 GHAEMO C[C@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1c(F)cccc1Cl ZINC000128790124 855132363 /nfs/dbraw/zinc/13/23/63/855132363.db2.gz UGSGXYCGCVVXQC-ZDUSSCGKSA-N 1 1 378.879 3.938 10 0 GHAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000174979480 860476937 /nfs/dbraw/zinc/47/69/37/860476937.db2.gz HCKWTRXJDYRYND-WOJBJXKFSA-N 1 1 396.535 3.878 10 0 GHAEMO O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103177608 863902441 /nfs/dbraw/zinc/90/24/41/863902441.db2.gz ZXLQRZKEIUBBJD-HSZRJFAPSA-N 1 1 386.499 3.529 10 0 GHAEMO CC(=O)N(c1nc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000172068190 882166967 /nfs/dbraw/zinc/16/69/67/882166967.db2.gz HQCWIWGXGVNHTP-RTWAWAEBSA-N 1 1 393.512 3.884 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000172306986 882198236 /nfs/dbraw/zinc/19/82/36/882198236.db2.gz SIJUFZLWYIXZBA-RFWXGWTQSA-N 1 1 377.532 3.918 10 0 GHAEMO Cc1c2cc(F)ccc2sc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000173282067 882346634 /nfs/dbraw/zinc/34/66/34/882346634.db2.gz XNALWWJNRRWRIO-KRWDZBQOSA-N 1 1 389.540 3.591 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173787955 882405077 /nfs/dbraw/zinc/40/50/77/882405077.db2.gz ZNCGZVRAVJKTGT-ZHRRBRCNSA-N 1 1 392.478 3.856 10 0 GHAEMO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)nc21 ZINC000176513985 882701640 /nfs/dbraw/zinc/70/16/40/882701640.db2.gz RFYYBWCNMJMFED-RBUKOAKNSA-N 1 1 382.552 3.917 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)[nH]c21 ZINC000176513985 882701646 /nfs/dbraw/zinc/70/16/46/882701646.db2.gz RFYYBWCNMJMFED-RBUKOAKNSA-N 1 1 382.552 3.917 10 0 GHAEMO Cc1cccc2nc(CCC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)[nH]c21 ZINC000176513985 882701653 /nfs/dbraw/zinc/70/16/53/882701653.db2.gz RFYYBWCNMJMFED-RBUKOAKNSA-N 1 1 382.552 3.917 10 0 GHAEMO Cc1ccccc1OCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116246160 873367975 /nfs/dbraw/zinc/36/79/75/873367975.db2.gz JPXGIQFQVQIAQR-FPOVZHCZSA-N 1 1 381.520 3.576 10 0 GHAEMO COc1cc(C2(C(=O)NC3CCN(c4cccc(C)[nH+]4)CC3)CC2)ccc1C ZINC000116669875 873614057 /nfs/dbraw/zinc/61/40/57/873614057.db2.gz VDVGWKVWLSLOCK-UHFFFAOYSA-N 1 1 379.504 3.524 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)NCCCCOCc3ccccc3)CC2)[nH+]1 ZINC000116951955 873797423 /nfs/dbraw/zinc/79/74/23/873797423.db2.gz VEYPSJQQENHJRO-UHFFFAOYSA-N 1 1 396.535 3.655 10 0 GHAEMO COc1ccc([C@H](C)N(C)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000116970650 873799864 /nfs/dbraw/zinc/79/98/64/873799864.db2.gz GEIYICSISIYSIE-KRWDZBQOSA-N 1 1 382.508 3.770 10 0 GHAEMO Cc1nc2c(s1)[C@@H](N(C)C(=O)NC1CCN(c3cccc(C)[nH+]3)CC1)CCC2 ZINC000117058019 873853318 /nfs/dbraw/zinc/85/33/18/873853318.db2.gz RRFDXBDODIHMNE-SFHVURJKSA-N 1 1 399.564 3.843 10 0 GHAEMO c1ncn(C2CC[NH+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)CC2)n1 ZINC000177163355 882768715 /nfs/dbraw/zinc/76/87/15/882768715.db2.gz KVLBPFCVFRIZMO-FQEVSTJZSA-N 1 1 386.459 3.755 10 0 GHAEMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000178475249 882896182 /nfs/dbraw/zinc/89/61/82/882896182.db2.gz RCGMJOWSSQQJNZ-RBUKOAKNSA-N 1 1 377.444 3.515 10 0 GHAEMO CC(=O)N1CC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc2C1 ZINC000184534132 883354054 /nfs/dbraw/zinc/35/40/54/883354054.db2.gz GXFWPPZAQRQHNF-XMMPIXPASA-N 1 1 395.522 3.873 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)[nH+]c1 ZINC000185812877 883576387 /nfs/dbraw/zinc/57/63/87/883576387.db2.gz LSIALNNJUOTBLE-HZPDHXFCSA-N 1 1 389.421 3.696 10 0 GHAEMO CC[C@@]1(C)Oc2ccc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc2O1 ZINC000190493133 884086032 /nfs/dbraw/zinc/08/60/32/884086032.db2.gz ILWRKUCMZACXNI-NRFANRHFSA-N 1 1 384.480 3.804 10 0 GHAEMO Fc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4nc(-c5ccoc5)no4)C3)n2)cc1 ZINC000105608997 884821016 /nfs/dbraw/zinc/82/10/16/884821016.db2.gz QFWFVUPOIHYABS-CQSZACIVSA-N 1 1 395.394 3.898 10 0 GHAEMO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4nc(-c5ccoc5)no4)C3)n2)cc1 ZINC000105608997 884821027 /nfs/dbraw/zinc/82/10/27/884821027.db2.gz QFWFVUPOIHYABS-CQSZACIVSA-N 1 1 395.394 3.898 10 0 GHAEMO COc1ccccc1C[C@H](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116244193 886359177 /nfs/dbraw/zinc/35/91/77/886359177.db2.gz XNZMSTVUJYPVKR-IPJJNNNSSA-N 1 1 395.547 3.686 10 0 GHAEMO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1C ZINC000042628283 886796637 /nfs/dbraw/zinc/79/66/37/886796637.db2.gz OVLZMUKOXVGSJA-IBGZPJMESA-N 1 1 385.552 3.745 10 0 GHAEMO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628232 886796845 /nfs/dbraw/zinc/79/68/45/886796845.db2.gz NYLPTTCCILZWIR-KRWDZBQOSA-N 1 1 389.515 3.576 10 0 GHAEMO C[C@H](NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000125819443 886903430 /nfs/dbraw/zinc/90/34/30/886903430.db2.gz SATSRKRIQHPYFR-GJZGRUSLSA-N 1 1 399.457 3.661 10 0 GHAEMO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCCC[C@H]3n3cccn3)o2)o1 ZINC000128831827 887232396 /nfs/dbraw/zinc/23/23/96/887232396.db2.gz IMMVYZZONIFVGB-VXGBXAGGSA-N 1 1 392.257 3.562 10 0 GHAEMO COc1cc(F)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000133425198 887763406 /nfs/dbraw/zinc/76/34/06/887763406.db2.gz AUICGKPFTVUKTQ-WBVHZDCISA-N 1 1 386.467 3.626 10 0 GHAEMO CCCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000051801200 887790321 /nfs/dbraw/zinc/79/03/21/887790321.db2.gz JHTZCRABODBRDW-UHFFFAOYSA-N 1 1 388.487 3.703 10 0 GHAEMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195347717 888683695 /nfs/dbraw/zinc/68/36/95/888683695.db2.gz IKGODUOMKFLIJZ-OLZOCXBDSA-N 1 1 381.448 3.951 10 0 GHAEMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195347717 888683703 /nfs/dbraw/zinc/68/37/03/888683703.db2.gz IKGODUOMKFLIJZ-OLZOCXBDSA-N 1 1 381.448 3.951 10 0 GHAEMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ncc(Br)s1 ZINC000245621139 889080228 /nfs/dbraw/zinc/08/02/28/889080228.db2.gz BKQSWYCUSGJVOW-VNHYZAJKSA-N 1 1 395.370 3.862 10 0 GHAEMO C[N@H+]1CC[C@H](NC(=O)N[C@@H](c2nccs2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000245699477 889275484 /nfs/dbraw/zinc/27/54/84/889275484.db2.gz YVIRPRLCNBXRAB-ZCNNSNEGSA-N 1 1 392.528 3.977 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)CC[C@H]21 ZINC000246124044 890421695 /nfs/dbraw/zinc/42/16/95/890421695.db2.gz QFAJDRDECPYJIY-HNAYVOBHSA-N 1 1 391.475 3.838 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)C[C@@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246428282 891236814 /nfs/dbraw/zinc/23/68/14/891236814.db2.gz NRGKPKWEHGCFAR-BSIFCXSSSA-N 1 1 390.886 3.712 10 0 GHAEMO CCc1cnc(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246587254 891288252 /nfs/dbraw/zinc/28/82/52/891288252.db2.gz UUDPKQUDRXLOIW-FUHWJXTLSA-N 1 1 386.565 3.900 10 0 GHAEMO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccccc1C(F)(F)F ZINC000246666874 891296090 /nfs/dbraw/zinc/29/60/90/891296090.db2.gz QGYFYGNZYLHLFU-XJKSGUPXSA-N 1 1 382.382 3.825 10 0 GHAEMO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccccc1C(F)(F)F ZINC000246666874 891296098 /nfs/dbraw/zinc/29/60/98/891296098.db2.gz QGYFYGNZYLHLFU-XJKSGUPXSA-N 1 1 382.382 3.825 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000246806678 891308414 /nfs/dbraw/zinc/30/84/14/891308414.db2.gz RGTSJHHQNZSIGR-OXJNMPFZSA-N 1 1 384.499 3.666 10 0 GHAEMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000247033407 891334413 /nfs/dbraw/zinc/33/44/13/891334413.db2.gz NRFFCIORBFUGFZ-RDTXWAMCSA-N 1 1 388.899 3.776 10 0 GHAEMO C[C@H](CCc1cccc(F)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247044266 891337699 /nfs/dbraw/zinc/33/76/99/891337699.db2.gz YDMKMMNRHRHNIY-FGSXEWAUSA-N 1 1 383.511 3.816 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1cccc2ccccc21 ZINC000247060856 891339516 /nfs/dbraw/zinc/33/95/16/891339516.db2.gz PDGODOJHFXTMMO-PGRDOPGGSA-N 1 1 389.499 3.640 10 0 GHAEMO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247104689 891344574 /nfs/dbraw/zinc/34/45/74/891344574.db2.gz FIVRUBZSCUYAIS-FTRWYGJKSA-N 1 1 387.911 3.529 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1 ZINC000247098517 891345347 /nfs/dbraw/zinc/34/53/47/891345347.db2.gz FCHZHQMUBJKETQ-OXQOHEQNSA-N 1 1 387.911 3.531 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc(Cl)s1 ZINC000247097471 891345531 /nfs/dbraw/zinc/34/55/31/891345531.db2.gz FABBPKUHJGCMLO-RHSMWYFYSA-N 1 1 377.941 3.756 10 0 GHAEMO C[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2Br)[C@H]1c1ccccc1 ZINC000248125413 891410790 /nfs/dbraw/zinc/41/07/90/891410790.db2.gz VHQPUFLUSNMRIC-NVXWUHKLSA-N 1 1 377.257 3.763 10 0 GHAEMO O=C(c1nc2cccnc2s1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248731364 891462843 /nfs/dbraw/zinc/46/28/43/891462843.db2.gz KUXRVDARAKYRGH-IEBWSBKVSA-N 1 1 392.528 3.818 10 0 GHAEMO CC(=O)Nc1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C ZINC000248828211 891473616 /nfs/dbraw/zinc/47/36/16/891473616.db2.gz MEHZKWSINBISLB-IERDGZPVSA-N 1 1 380.492 3.595 10 0 GHAEMO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333202212 900032630 /nfs/dbraw/zinc/03/26/30/900032630.db2.gz YDWPYGAVUQWSIX-QTVXIADOSA-N 1 1 387.549 3.676 10 0 GHAEMO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333202212 900032639 /nfs/dbraw/zinc/03/26/39/900032639.db2.gz YDWPYGAVUQWSIX-QTVXIADOSA-N 1 1 387.549 3.676 10 0 GHAEMO CC[N@H+]1CCC[C@@H](CN(C)Cc2csc(C(C)C)n2)[C@@H]1c1cnn(C)c1 ZINC000328648857 206238501 /nfs/dbraw/zinc/23/85/01/206238501.db2.gz UTKVRNYLYXINHJ-QFBILLFUSA-N 1 1 375.586 3.905 10 0 GHAEMO Cc1ccsc1C[N@@H+]1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000015779243 207060775 /nfs/dbraw/zinc/06/07/75/207060775.db2.gz HUMJMLGTLWEMGZ-UHFFFAOYSA-N 1 1 394.500 3.920 10 0 GHAEMO Cc1ccsc1C[N@H+]1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000015779243 207060778 /nfs/dbraw/zinc/06/07/78/207060778.db2.gz HUMJMLGTLWEMGZ-UHFFFAOYSA-N 1 1 394.500 3.920 10 0 GHAEMO COc1ccc(C[N@@H+](Cc2ccc(C(C)(C)O)o2)C[C@@H]2CCCO2)cc1OC ZINC000036156201 570553462 /nfs/dbraw/zinc/55/34/62/570553462.db2.gz CAUZHYYMDVQTCY-KRWDZBQOSA-N 1 1 389.492 3.705 10 0 GHAEMO COc1ccc(C[N@H+](Cc2ccc(C(C)(C)O)o2)C[C@@H]2CCCO2)cc1OC ZINC000036156201 570553466 /nfs/dbraw/zinc/55/34/66/570553466.db2.gz CAUZHYYMDVQTCY-KRWDZBQOSA-N 1 1 389.492 3.705 10 0 GHAEMO Cc1cc(-c2cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c3c(C)noc3n2)c(C)o1 ZINC000113224859 837821524 /nfs/dbraw/zinc/82/15/24/837821524.db2.gz WRGYTVRINKNVLK-LRDDRELGSA-N 1 1 394.475 3.717 10 0 GHAEMO COc1ccccc1C/C(C)=C/C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000157749672 835072877 /nfs/dbraw/zinc/07/28/77/835072877.db2.gz GPEBVFYLOUPCJZ-OBGWFSINSA-N 1 1 379.504 3.673 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3cc(Br)ccc3F)CC2)[nH+]c1 ZINC000157767180 835083345 /nfs/dbraw/zinc/08/33/45/835083345.db2.gz KMYREZJZOQCQHH-UHFFFAOYSA-N 1 1 392.272 3.690 10 0 GHAEMO Cc1cc(OC(F)F)c(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000157813804 835107975 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TTXMGMCCQQDQOA-HUUCEWRRSA-N 1 1 380.916 3.723 10 0 GHAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000174979501 860476715 /nfs/dbraw/zinc/47/67/15/860476715.db2.gz HCKWTRXJDYRYND-VQTJNVASSA-N 1 1 396.535 3.878 10 0 GHAEMO COc1cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)ccc1OCc1c(C)noc1C ZINC000128539483 860912448 /nfs/dbraw/zinc/91/24/48/860912448.db2.gz UJHWDCGINJGUIG-SFHVURJKSA-N 1 1 396.491 3.602 10 0 GHAEMO C[C@H]1CCC[N@H+]1C1CCN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC000301755267 865524252 /nfs/dbraw/zinc/52/42/52/865524252.db2.gz CXGJFKIVVWDARN-INIZCTEOSA-N 1 1 390.959 3.814 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@H]3CCSc4ccccc43)CC2)[nH+]1 ZINC000172060893 882165897 /nfs/dbraw/zinc/16/58/97/882165897.db2.gz LTHNGSRDPRMSCN-SFHVURJKSA-N 1 1 382.533 3.895 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N3CCC(OCCC(C)C)CC3)CC2)[nH+]c1 ZINC000173371659 882356877 /nfs/dbraw/zinc/35/68/77/882356877.db2.gz TYGXBKKMYFGALF-UHFFFAOYSA-N 1 1 388.556 3.596 10 0 GHAEMO 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ZINC000135252346 888225388 /nfs/dbraw/zinc/22/53/88/888225388.db2.gz LIGBRNQNOVMAGP-AYOQOUSVSA-N 1 1 384.549 3.730 10 0 GHAEMO COc1ccccc1CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105273197 888288214 /nfs/dbraw/zinc/28/82/14/888288214.db2.gz CIFWCZFWBJYXNQ-FQEVSTJZSA-N 1 1 387.568 3.780 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000245549616 888907286 /nfs/dbraw/zinc/90/72/86/888907286.db2.gz OHPVEVCRMFELDM-STZQEDGTSA-N 1 1 395.547 3.965 10 0 GHAEMO C[N@H+]1CC[C@@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)[C@H]1c1ccccc1 ZINC000245809945 889767227 /nfs/dbraw/zinc/76/72/27/889767227.db2.gz CGSSNQQXUZKRED-TZIWHRDSSA-N 1 1 397.906 3.642 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)CC[C@H]21 ZINC000246124020 890420561 /nfs/dbraw/zinc/42/05/61/890420561.db2.gz QFAJDRDECPYJIY-DNVCBOLYSA-N 1 1 391.475 3.838 10 0 GHAEMO CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246468955 891268513 /nfs/dbraw/zinc/26/85/13/891268513.db2.gz 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ZINC000328625337 209148248 /nfs/dbraw/zinc/14/82/48/209148248.db2.gz CZWUUAJWHPFALC-ZLGUVYLKSA-N 1 1 390.959 3.512 10 0 GHAEMO CC[N@H+]1CCC[C@@H](CN(C)C[C@@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1 ZINC000328625337 209148251 /nfs/dbraw/zinc/14/82/51/209148251.db2.gz CZWUUAJWHPFALC-ZLGUVYLKSA-N 1 1 390.959 3.512 10 0 GHAEMO COc1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3[C@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]12 ZINC000095801872 211283033 /nfs/dbraw/zinc/28/30/33/211283033.db2.gz YRWVTQHOXFHJIY-DHLMPNOKSA-N 1 1 382.460 3.535 10 0 GHAEMO COc1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3[C@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]12 ZINC000095801872 211283039 /nfs/dbraw/zinc/28/30/39/211283039.db2.gz YRWVTQHOXFHJIY-DHLMPNOKSA-N 1 1 382.460 3.535 10 0 GHAEMO CCCOc1c(Br)cc(CNCC[NH+](C)C)cc1Br ZINC000020967548 210371527 /nfs/dbraw/zinc/37/15/27/210371527.db2.gz COHZGYLIDUIQQU-UHFFFAOYSA-N 1 1 394.151 3.652 10 0 GHAEMO Cc1cc(N2CCCC2)ccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000156669002 834494219 /nfs/dbraw/zinc/49/42/19/834494219.db2.gz TULVRWHIFZBZRO-UHFFFAOYSA-N 1 1 381.524 3.815 10 0 GHAEMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3nc(C)cs3)CC2)c1 ZINC000156681039 834500720 /nfs/dbraw/zinc/50/07/20/834500720.db2.gz QGTHPELOMOZJRJ-AWEZNQCLSA-N 1 1 386.521 3.617 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)CCCOCCc3ccccc3)CC2)[nH+]c1 ZINC000157824789 835112409 /nfs/dbraw/zinc/11/24/09/835112409.db2.gz PLDYLDZHRUGMLF-UHFFFAOYSA-N 1 1 381.520 3.515 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)CSc3nccc4ccccc43)CC2)[nH+]c1 ZINC000158122284 835235069 /nfs/dbraw/zinc/23/50/69/835235069.db2.gz JEAXBTFADNLYFH-UHFFFAOYSA-N 1 1 392.528 3.816 10 0 GHAEMO Brc1ccc([C@@H]2C[C@@H]2c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000329737583 835820877 /nfs/dbraw/zinc/82/08/77/835820877.db2.gz TWECFWYBYHINMF-YHUYYLMFSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1ccc([C@@H]2C[C@@H]2c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000329737583 835820886 /nfs/dbraw/zinc/82/08/86/835820886.db2.gz TWECFWYBYHINMF-YHUYYLMFSA-N 1 1 390.281 3.639 10 0 GHAEMO 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ZINC000172492270 882289808 /nfs/dbraw/zinc/28/98/08/882289808.db2.gz MDKCLDUMKGCCJS-PXNSSMCTSA-N 1 1 376.504 3.553 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3cccn3Cc3cccs3)CC2)[nH+]c1 ZINC000172961995 882326197 /nfs/dbraw/zinc/32/61/97/882326197.db2.gz AGUPCGWWWIHKNV-UHFFFAOYSA-N 1 1 380.517 3.700 10 0 GHAEMO Cc1csc([C@H](NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C2CC2)n1 ZINC000173369256 882357847 /nfs/dbraw/zinc/35/78/47/882357847.db2.gz NFOCGYMQBOOMMG-GOSISDBHSA-N 1 1 385.537 3.574 10 0 GHAEMO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cn1 ZINC000105001574 870608499 /nfs/dbraw/zinc/60/84/99/870608499.db2.gz VARQKXQXWWWWEJ-GOSISDBHSA-N 1 1 396.491 3.893 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176373339 882684437 /nfs/dbraw/zinc/68/44/37/882684437.db2.gz OMTTVXBAAWSJES-NZSAHSFTSA-N 1 1 399.564 3.685 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N3CCCC[C@H]3c3nccs3)CC2)[nH+]1 ZINC000176374448 882684518 /nfs/dbraw/zinc/68/45/18/882684518.db2.gz RVBZZMDGANPRRU-KRWDZBQOSA-N 1 1 385.537 3.752 10 0 GHAEMO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116244924 873365938 /nfs/dbraw/zinc/36/59/38/873365938.db2.gz UEMXPXONPQWRJZ-WMLDXEAASA-N 1 1 396.516 3.747 10 0 GHAEMO CCn1ncc2ccc(NC(=O)NC3CCN(c4cccc(C)[nH+]4)CC3)cc21 ZINC000117004326 873847102 /nfs/dbraw/zinc/84/71/02/873847102.db2.gz OZRMGMOKWXYLDU-UHFFFAOYSA-N 1 1 378.480 3.550 10 0 GHAEMO CC(C)n1ncc2ccc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc21 ZINC000178449335 882891997 /nfs/dbraw/zinc/89/19/97/882891997.db2.gz GEEVHRHWKMUOBC-UHFFFAOYSA-N 1 1 380.496 3.837 10 0 GHAEMO CN(C)c1c(Cl)cccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000178442084 882893341 /nfs/dbraw/zinc/89/33/41/882893341.db2.gz CNMAEGZOJHRGQG-UHFFFAOYSA-N 1 1 375.904 3.626 10 0 GHAEMO CCOc1cc2c(cc1NC(=O)N1CCC(Cc3[nH+]ccn3C)CC1)O[C@H](C)C2 ZINC000178434341 882913900 /nfs/dbraw/zinc/91/39/00/882913900.db2.gz UCTHWGQJLFGPKP-OAHLLOKOSA-N 1 1 398.507 3.629 10 0 GHAEMO 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397.910 3.663 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000162440752 843260319 /nfs/dbraw/zinc/26/03/19/843260319.db2.gz RBGWOFDWKXXBDG-CABCVRRESA-N 1 1 375.875 3.797 10 0 GHAEMO COc1cccc([C@@H]2[C@H](NC(=O)/C=C\c3ncccc3C)CC[N@H+]2C2CC2)c1 ZINC000588455918 843360154 /nfs/dbraw/zinc/36/01/54/843360154.db2.gz DNTVWVLAOPZTAF-ZLVHQKRJSA-N 1 1 377.488 3.506 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000155607571 849580703 /nfs/dbraw/zinc/58/07/03/849580703.db2.gz BOOOETXFQKUAHZ-QGZVFWFLSA-N 1 1 387.553 3.523 10 0 GHAEMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(F)c3Br)n1)OC2 ZINC000328825818 854552506 /nfs/dbraw/zinc/55/25/06/854552506.db2.gz HRWJOULCXRDBMR-BLLLJJGKSA-N 1 1 382.233 3.564 10 0 GHAEMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247033883 855587784 /nfs/dbraw/zinc/58/77/84/855587784.db2.gz NTCBZPCWKWIQAX-UCFCWBNQSA-N 1 1 399.579 3.898 10 0 GHAEMO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1 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ZINC000187027499 883731840 /nfs/dbraw/zinc/73/18/40/883731840.db2.gz BABJCYNXSQFIKQ-UHFFFAOYSA-N 1 1 377.492 3.522 10 0 GHAEMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC3(CCOCC3)c3ccccc32)C1 ZINC000191035878 884149015 /nfs/dbraw/zinc/14/90/15/884149015.db2.gz ZWGFBEQQPCGVHK-LJQANCHMSA-N 1 1 385.552 3.777 10 0 GHAEMO Cc1cccc(CSCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116251428 886358109 /nfs/dbraw/zinc/35/81/09/886358109.db2.gz LENADAWMGFEWLA-GHTZIAJQSA-N 1 1 383.561 3.650 10 0 GHAEMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OCC ZINC000116244135 886358966 /nfs/dbraw/zinc/35/89/66/886358966.db2.gz ZTGJFSTWBYIEFH-FXAWDEMLSA-N 1 1 397.519 3.519 10 0 GHAEMO Cc1ccc(Br)c(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000129044385 887253806 /nfs/dbraw/zinc/25/38/06/887253806.db2.gz QVHOPUWWXZJAQK-UHFFFAOYSA-N 1 1 391.313 3.978 10 0 GHAEMO C[C@@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1cccc(N2CCCC2)c1 ZINC000129450633 887301798 /nfs/dbraw/zinc/30/17/98/887301798.db2.gz 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891364881 /nfs/dbraw/zinc/36/48/81/891364881.db2.gz ZVIZSSJWKQDCRX-CVEARBPZSA-N 1 1 394.338 3.546 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247950726 891402766 /nfs/dbraw/zinc/40/27/66/891402766.db2.gz DZOXGNOTJUTBJQ-CRAIPNDOSA-N 1 1 387.911 3.870 10 0 GHAEMO C[N@H+]1CC[C@H](NC(=O)c2cc(Br)cnc2Cl)[C@H]1c1ccccc1 ZINC000248033189 891405651 /nfs/dbraw/zinc/40/56/51/891405651.db2.gz KPOZOCKLWMEAKE-LSDHHAIUSA-N 1 1 394.700 3.673 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(COCc4ccco4)c3)CC[C@H]21 ZINC000248163770 891414560 /nfs/dbraw/zinc/41/45/60/891414560.db2.gz SOWQLLHPNUWFOY-GHTZIAJQSA-N 1 1 383.492 3.944 10 0 GHAEMO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248447173 891438030 /nfs/dbraw/zinc/43/80/30/891438030.db2.gz GNTKDYZIWKKKIC-NDXORKPFSA-N 1 1 380.536 3.643 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3c(F)cc(F)cc3Br)CC[C@H]21 ZINC000248702162 891459913 /nfs/dbraw/zinc/45/99/13/891459913.db2.gz 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Cn1cc(C[N@H+]2CCc3c(cc(-c4csc5ccccc54)c(=O)n3C)C2)cn1 ZINC000019300010 210240175 /nfs/dbraw/zinc/24/01/75/210240175.db2.gz CKRDARKVDFBRGJ-UHFFFAOYSA-N 1 1 390.512 3.559 10 0 GHAEMO COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(F)ccc4F)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000014976450 210139323 /nfs/dbraw/zinc/13/93/23/210139323.db2.gz NEUYGTBQYVHBNC-YROCYRMSSA-N 1 1 398.453 3.911 10 0 GHAEMO COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(F)ccc4F)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000014976450 210139327 /nfs/dbraw/zinc/13/93/27/210139327.db2.gz NEUYGTBQYVHBNC-YROCYRMSSA-N 1 1 398.453 3.911 10 0 GHAEMO COc1ccccc1CCN1C(=O)CC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21 ZINC000014968364 210136586 /nfs/dbraw/zinc/13/65/86/210136586.db2.gz GFRUMHVNSLADTN-UXHICEINSA-N 1 1 384.545 3.812 10 0 GHAEMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000012752393 210001443 /nfs/dbraw/zinc/00/14/43/210001443.db2.gz IUXYBJIIJUGMLW-KRWDZBQOSA-N 1 1 383.517 3.681 10 0 GHAEMO CCN1CCC[C@@H](C[N@@H+](C)Cc2cccc3cnccc32)[C@@H]1c1cnn(C)c1 ZINC000328624833 209149167 /nfs/dbraw/zinc/14/91/67/209149167.db2.gz CQKXUCIRNJGPJE-NZQKXSOJSA-N 1 1 377.536 3.873 10 0 GHAEMO C[N@H+](Cc1ccc(Br)nc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075493 211216023 /nfs/dbraw/zinc/21/60/23/211216023.db2.gz RGKUPKMIBDRUNL-CQSZACIVSA-N 1 1 384.318 3.533 10 0 GHAEMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2coc3ccccc3c2=O)C1 ZINC000020918177 210369651 /nfs/dbraw/zinc/36/96/51/210369651.db2.gz UFETVPWSFOYDJN-INIZCTEOSA-N 1 1 391.423 3.617 10 0 GHAEMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2coc3ccccc3c2=O)C1 ZINC000020918177 210369655 /nfs/dbraw/zinc/36/96/55/210369655.db2.gz UFETVPWSFOYDJN-INIZCTEOSA-N 1 1 391.423 3.617 10 0 GHAEMO COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3[N@H+](C)CC2 ZINC000014645569 560223553 /nfs/dbraw/zinc/22/35/53/560223553.db2.gz SXGHNTVPXYHQSN-AWEZNQCLSA-N 1 1 385.460 3.569 10 0 in-vitro GHAEMO COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3[N@@H+](C)CC2 ZINC000014645569 560223554 /nfs/dbraw/zinc/22/35/54/560223554.db2.gz SXGHNTVPXYHQSN-AWEZNQCLSA-N 1 1 385.460 3.569 10 0 in-vitro GHAEMO Cc1csc(C2CC[NH+]([C@@H](C)C(=O)N[C@@H]3CCOc4ccccc43)CC2)n1 ZINC000156679618 834499436 /nfs/dbraw/zinc/49/94/36/834499436.db2.gz HOAYTYGQNBRRKD-MAUKXSAKSA-N 1 1 385.533 3.659 10 0 GHAEMO Cc1sc2nc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccccc3)[nH]c(=O)c2c1C ZINC000163182335 834628468 /nfs/dbraw/zinc/62/84/68/834628468.db2.gz AMZCJHCHIJUNFZ-SJORKVTESA-N 1 1 383.517 3.690 10 0 GHAEMO Cc1sc2nc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccccc3)[nH]c(=O)c2c1C ZINC000163182335 834628473 /nfs/dbraw/zinc/62/84/73/834628473.db2.gz AMZCJHCHIJUNFZ-SJORKVTESA-N 1 1 383.517 3.690 10 0 GHAEMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000157143385 834770664 /nfs/dbraw/zinc/77/06/64/834770664.db2.gz HLUVCFBWMUGUBH-UHFFFAOYSA-N 1 1 395.507 3.564 10 0 GHAEMO Cc1cc(C)n(-c2cccc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)c2)n1 ZINC000157207578 834802105 /nfs/dbraw/zinc/80/21/05/834802105.db2.gz SNKONTAJLIWNBR-UHFFFAOYSA-N 1 1 392.507 3.709 10 0 GHAEMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cc(F)cc(Br)c3)n1)OC2 ZINC000329619552 835436051 /nfs/dbraw/zinc/43/60/51/835436051.db2.gz TYLBXVVDGHMBDY-CZUORRHYSA-N 1 1 382.233 3.564 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccccc2OCC(F)F)CC1 ZINC000159119210 835731315 /nfs/dbraw/zinc/73/13/15/835731315.db2.gz SOQXFBCHMAXJJX-UHFFFAOYSA-N 1 1 378.423 3.551 10 0 GHAEMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c12 ZINC000247200123 840635848 /nfs/dbraw/zinc/63/58/48/840635848.db2.gz LOMHDHQWBBMXRL-WBVHZDCISA-N 1 1 397.567 3.927 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000106207520 840760590 /nfs/dbraw/zinc/76/05/90/840760590.db2.gz RNKLRUYAVVYXFJ-JXFKEZNVSA-N 1 1 377.492 3.749 10 0 GHAEMO O=C(N[C@H]1CCN(c2ccccc2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332818918 844578085 /nfs/dbraw/zinc/57/80/85/844578085.db2.gz AULAPDUFKQFGRQ-PMACEKPBSA-N 1 1 392.547 3.888 10 0 GHAEMO C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCOc3ccccc32)[C@H]1c1cccs1 ZINC000332889615 844610059 /nfs/dbraw/zinc/61/00/59/844610059.db2.gz CLVKOUKIRHUUAV-SYNHAJSKSA-N 1 1 385.533 3.954 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC000153298007 842865119 /nfs/dbraw/zinc/86/51/19/842865119.db2.gz QTDIIEWWCLYVLG-LMMKCTJWSA-N 1 1 376.545 3.633 10 0 GHAEMO COCc1ccc([C@H]2CCCN2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)o1 ZINC000163125956 842966830 /nfs/dbraw/zinc/96/68/30/842966830.db2.gz KUBAXQNQJMSMKE-LJQANCHMSA-N 1 1 398.507 3.645 10 0 GHAEMO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052685422 844721741 /nfs/dbraw/zinc/72/17/41/844721741.db2.gz BHOZVGOQPBJXLG-KRWDZBQOSA-N 1 1 382.508 3.912 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CCc3cccc(OC(C)(C)C)n3)CC2)[nH+]1 ZINC000150724451 844984669 /nfs/dbraw/zinc/98/46/69/844984669.db2.gz FCNKUZLVGSQNKS-UHFFFAOYSA-N 1 1 396.535 3.680 10 0 GHAEMO CCS[C@@H]1CC[C@@H](N(C)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000151571391 845251737 /nfs/dbraw/zinc/25/17/37/845251737.db2.gz QOAFTTKOVBEGES-QZTJIDSGSA-N 1 1 376.570 3.674 10 0 GHAEMO O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105015904 845928103 /nfs/dbraw/zinc/92/81/03/845928103.db2.gz ZQEARXKTGJTUKI-MRXNPFEDSA-N 1 1 393.413 3.593 10 0 GHAEMO CC(C)c1nn(C)c2sc(-c3nc([C@@H]4C[N@H+]5CCC[C@@]5(C)CO4)no3)cc12 ZINC000329569979 861674687 /nfs/dbraw/zinc/67/46/87/861674687.db2.gz INWBRVCDVJLJMH-DJJJIMSYSA-N 1 1 387.509 3.734 10 0 GHAEMO C[C@@H]1CCC[N@H+]1C1CCN(c2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC000154902879 849402047 /nfs/dbraw/zinc/40/20/47/849402047.db2.gz DCPTZGPUDZVHHZ-GOSISDBHSA-N 1 1 390.531 3.738 10 0 GHAEMO CC[N@@H+](Cc1ccc(C(=O)NCc2cc(OC)c(O)c(OC)c2)cc1)C(C)C ZINC000101659373 851793059 /nfs/dbraw/zinc/79/30/59/851793059.db2.gz GOPSXRVILAQFDB-UHFFFAOYSA-N 1 1 386.492 3.570 10 0 GHAEMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000247004104 855450358 /nfs/dbraw/zinc/45/03/58/855450358.db2.gz LUHBEPSWGGEZAK-UCFCWBNQSA-N 1 1 399.579 3.755 10 0 GHAEMO COc1ccccc1CC1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000102410575 860262553 /nfs/dbraw/zinc/26/25/53/860262553.db2.gz DTCIWBXDFIZCQK-MRXNPFEDSA-N 1 1 377.488 3.947 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)C1 ZINC000171820881 860429108 /nfs/dbraw/zinc/42/91/08/860429108.db2.gz QWQONDRGCQKPTE-OAHLLOKOSA-N 1 1 382.508 3.714 10 0 GHAEMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)cc1 ZINC000102928890 860904086 /nfs/dbraw/zinc/90/40/86/860904086.db2.gz BSSRUYWYSYUFCN-INIZCTEOSA-N 1 1 390.386 3.792 10 0 GHAEMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)cc1 ZINC000102928890 860904099 /nfs/dbraw/zinc/90/40/99/860904099.db2.gz BSSRUYWYSYUFCN-INIZCTEOSA-N 1 1 390.386 3.792 10 0 GHAEMO Cc1ccc(OCCN(C)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000103185307 863906676 /nfs/dbraw/zinc/90/66/76/863906676.db2.gz HRGRKEMSNHHTKY-QFIPXVFZSA-N 1 1 395.547 3.580 10 0 GHAEMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000104710891 864587036 /nfs/dbraw/zinc/58/70/36/864587036.db2.gz FKBGIVPMCCMPQI-CQSZACIVSA-N 1 1 376.884 3.859 10 0 GHAEMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249918300 864912893 /nfs/dbraw/zinc/91/28/93/864912893.db2.gz XZILWEGQVBNNON-HUUCEWRRSA-N 1 1 387.505 3.511 10 0 GHAEMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249918300 864912900 /nfs/dbraw/zinc/91/29/00/864912900.db2.gz XZILWEGQVBNNON-HUUCEWRRSA-N 1 1 387.505 3.511 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(OC(F)F)cc1 ZINC000172142992 882173060 /nfs/dbraw/zinc/17/30/60/882173060.db2.gz DILDQKHNKIRFEQ-KSSFIOAISA-N 1 1 390.434 3.715 10 0 GHAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)N[C@H](c3ccccc3)C(C)(C)C)C2)CC1 ZINC000091846407 882187109 /nfs/dbraw/zinc/18/71/09/882187109.db2.gz SNAJPBBBHCMFGX-LEWJYISDSA-N 1 1 386.584 3.585 10 0 GHAEMO Cc1sc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(C)c1C ZINC000173481369 882365372 /nfs/dbraw/zinc/36/53/72/882365372.db2.gz LSAZQJPLLKFHQP-UHFFFAOYSA-N 1 1 391.581 3.726 10 0 GHAEMO Cc1cn2c(C[N@@H+](C)C3CCN(CCc4ccccn4)CC3)c(C)nc2s1 ZINC000092645331 882410522 /nfs/dbraw/zinc/41/05/22/882410522.db2.gz RAUDWZGVELAAOE-UHFFFAOYSA-N 1 1 383.565 3.547 10 0 GHAEMO Cc1cn2c(C[N@H+](C)C3CCN(CCc4ccccn4)CC3)c(C)nc2s1 ZINC000092645331 882410529 /nfs/dbraw/zinc/41/05/29/882410529.db2.gz RAUDWZGVELAAOE-UHFFFAOYSA-N 1 1 383.565 3.547 10 0 GHAEMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000056762172 870584975 /nfs/dbraw/zinc/58/49/75/870584975.db2.gz UUWWDIVUVYQGKL-WMZOPIPTSA-N 1 1 399.457 3.804 10 0 GHAEMO O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105013989 870608174 /nfs/dbraw/zinc/60/81/74/870608174.db2.gz XUJRGQMSFHRPLB-ZDUSSCGKSA-N 1 1 376.407 3.538 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)C2)CC1 ZINC000175994753 882653745 /nfs/dbraw/zinc/65/37/45/882653745.db2.gz QKDTXRYAZPPNBV-WXFUMESZSA-N 1 1 391.559 3.572 10 0 GHAEMO CCOc1ccc2cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)[nH]c2c1 ZINC000116252216 873372278 /nfs/dbraw/zinc/37/22/78/873372278.db2.gz YMURWZUGDHSWSG-JXFKEZNVSA-N 1 1 392.503 3.602 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3ccc(F)cc3Br)CC2)[nH+]1 ZINC000116668256 873614832 /nfs/dbraw/zinc/61/48/32/873614832.db2.gz OFDPPHRLQLSPSQ-UHFFFAOYSA-N 1 1 392.272 3.690 10 0 GHAEMO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(Br)c(C)c1 ZINC000180774781 883098016 /nfs/dbraw/zinc/09/80/16/883098016.db2.gz YWJHZAQWDQBOAY-SWLSCSKDSA-N 1 1 379.302 3.681 10 0 GHAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3c(Cl)n(C)nc3-c3ccccc3)C2)n1 ZINC000122018152 878227680 /nfs/dbraw/zinc/22/76/80/878227680.db2.gz SDXVNXCQXXQEKN-QGZVFWFLSA-N 1 1 398.942 3.861 10 0 GHAEMO COc1cnccc1[C@@H](C)[NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000187083673 883752900 /nfs/dbraw/zinc/75/29/00/883752900.db2.gz LWQSOVSBTONOHZ-MRXNPFEDSA-N 1 1 390.487 3.538 10 0 GHAEMO Cc1csc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1Br ZINC000190982539 884135341 /nfs/dbraw/zinc/13/53/41/884135341.db2.gz OQUJZIIZUDUUMB-UHFFFAOYSA-N 1 1 382.327 3.647 10 0 GHAEMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000191034979 884148617 /nfs/dbraw/zinc/14/86/17/884148617.db2.gz BAACGALEMWATQW-IBGZPJMESA-N 1 1 385.552 3.919 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)CCO1 ZINC000105250200 886013346 /nfs/dbraw/zinc/01/33/46/886013346.db2.gz MNZQNTIOQYASCA-HRAATJIYSA-N 1 1 389.515 3.562 10 0 GHAEMO C[C@@H](c1ccccc1F)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000116569455 886368050 /nfs/dbraw/zinc/36/80/50/886368050.db2.gz UXQDLRBQYSMDGA-WWMYMODYSA-N 1 1 384.499 3.834 10 0 GHAEMO COc1ccc(CCCN(C)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000116970211 886374011 /nfs/dbraw/zinc/37/40/11/886374011.db2.gz CSQKXPDXVLZKCZ-UHFFFAOYSA-N 1 1 396.535 3.642 10 0 GHAEMO CCCN(CCc1ccccn1)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000105150381 886397642 /nfs/dbraw/zinc/39/76/42/886397642.db2.gz SGFGXZNOSDNTKJ-KRWDZBQOSA-N 1 1 386.565 3.554 10 0 GHAEMO CCCN(CCc1ccccn1)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000105150381 886397662 /nfs/dbraw/zinc/39/76/62/886397662.db2.gz SGFGXZNOSDNTKJ-KRWDZBQOSA-N 1 1 386.565 3.554 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N3CC=C(c4cccs4)CC3)CC2)[nH+]1 ZINC000117968196 886398641 /nfs/dbraw/zinc/39/86/41/886398641.db2.gz MQIPXWCRCSZBLS-UHFFFAOYSA-N 1 1 382.533 3.919 10 0 GHAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000245428850 888750448 /nfs/dbraw/zinc/75/04/48/888750448.db2.gz MUMZFSLZIUSFGR-WMLDXEAASA-N 1 1 390.915 3.511 10 0 GHAEMO CCn1cnnc1-c1cccc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245558968 888940905 /nfs/dbraw/zinc/94/09/05/888940905.db2.gz HPIODDJDLQSTDC-DYESRHJHSA-N 1 1 376.508 3.683 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)CCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245662238 889185411 /nfs/dbraw/zinc/18/54/11/889185411.db2.gz GFNJAQSCLBSHGB-IIBYNOLFSA-N 1 1 390.886 3.927 10 0 GHAEMO CCc1nn(C)c(Cl)c1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245682019 889215236 /nfs/dbraw/zinc/21/52/36/889215236.db2.gz PGWGSEKRMMENRD-DOTOQJQBSA-N 1 1 388.943 3.761 10 0 GHAEMO CN(Cc1cscn1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245713434 889399509 /nfs/dbraw/zinc/39/95/09/889399509.db2.gz PQRHJQCGDOJTDB-SUMWQHHRSA-N 1 1 396.919 3.770 10 0 GHAEMO CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1 ZINC000245979381 890123116 /nfs/dbraw/zinc/12/31/16/890123116.db2.gz GORVPKZAWZFVGZ-TZIWHRDSSA-N 1 1 395.551 3.696 10 0 GHAEMO CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1 ZINC000245979381 890123122 /nfs/dbraw/zinc/12/31/22/890123122.db2.gz GORVPKZAWZFVGZ-TZIWHRDSSA-N 1 1 395.551 3.696 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000246285079 890941416 /nfs/dbraw/zinc/94/14/16/890941416.db2.gz ADVUZFGGEUIWBC-HNAYVOBHSA-N 1 1 394.450 3.516 10 0 GHAEMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)s1 ZINC000246407901 891230445 /nfs/dbraw/zinc/23/04/45/891230445.db2.gz RCEGUCKMRUPYIS-IJEWVQPXSA-N 1 1 377.941 3.927 10 0 GHAEMO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246571539 891287356 /nfs/dbraw/zinc/28/73/56/891287356.db2.gz LDIGLPDGUVSHNC-TZIWHRDSSA-N 1 1 394.471 3.891 10 0 GHAEMO O=C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000246839370 891314477 /nfs/dbraw/zinc/31/44/77/891314477.db2.gz OPHFPHQPWRIXNY-KBXCAEBGSA-N 1 1 381.442 3.593 10 0 GHAEMO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1-c1ccccn1 ZINC000246871794 891318736 /nfs/dbraw/zinc/31/87/36/891318736.db2.gz QYEOLRVJNWNNAV-MOPGFXCFSA-N 1 1 379.504 3.845 10 0 GHAEMO Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247011788 891332370 /nfs/dbraw/zinc/33/23/70/891332370.db2.gz LPGSAUYOCOHVNQ-KSSFIOAISA-N 1 1 390.478 3.607 10 0 GHAEMO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247104754 891345400 /nfs/dbraw/zinc/34/54/00/891345400.db2.gz FIVRUBZSCUYAIS-TWOQFEAHSA-N 1 1 387.911 3.529 10 0 GHAEMO CSc1ccc(O[C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247106325 891345803 /nfs/dbraw/zinc/34/58/03/891345803.db2.gz VLNVSQCKJKPMHF-CSODHUTKSA-N 1 1 399.560 3.598 10 0 GHAEMO Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247310282 891365598 /nfs/dbraw/zinc/36/55/98/891365598.db2.gz VXLPGTIFJDJJAH-DENIHFKCSA-N 1 1 393.531 3.688 10 0 GHAEMO Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247310282 891365612 /nfs/dbraw/zinc/36/56/12/891365612.db2.gz VXLPGTIFJDJJAH-DENIHFKCSA-N 1 1 393.531 3.688 10 0 GHAEMO Brc1ccc(-c2c[nH]c(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)n2)cc1 ZINC000247303789 891365701 /nfs/dbraw/zinc/36/57/01/891365701.db2.gz ZVIZSSJWKQDCRX-HZPDHXFCSA-N 1 1 394.338 3.546 10 0 GHAEMO Brc1ccc(-c2c[nH]c(C[N@H+]3CCS[C@@H]4COCC[C@H]43)n2)cc1 ZINC000247303789 891365712 /nfs/dbraw/zinc/36/57/12/891365712.db2.gz ZVIZSSJWKQDCRX-HZPDHXFCSA-N 1 1 394.338 3.546 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)CC[C@H]21 ZINC000248149617 891412870 /nfs/dbraw/zinc/41/28/70/891412870.db2.gz QQOHSCDWQREVNC-GHTZIAJQSA-N 1 1 398.551 3.697 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1scnc1C1CCCC1 ZINC000248426348 891434150 /nfs/dbraw/zinc/43/41/50/891434150.db2.gz KTYMMHLDMQMRRC-MAUKXSAKSA-N 1 1 384.549 3.836 10 0 GHAEMO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248460625 891437966 /nfs/dbraw/zinc/43/79/66/891437966.db2.gz SVMAYPBQDFAKFA-CQOVVYFZSA-N 1 1 392.906 3.732 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3c(F)cc(F)cc3Br)CC[C@H]21 ZINC000248702164 891460218 /nfs/dbraw/zinc/46/02/18/891460218.db2.gz FPVYAAXXNCNQAH-QMTHXVAHSA-N 1 1 388.256 3.675 10 0 GHAEMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)[C@H]1c1ccccc1 ZINC000249051600 891491110 /nfs/dbraw/zinc/49/11/10/891491110.db2.gz OGNJXDMCFNNBNN-PZJWPPBQSA-N 1 1 378.476 3.528 10 0 GHAEMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(=O)[nH]1 ZINC000253558339 891881696 /nfs/dbraw/zinc/88/16/96/891881696.db2.gz DUZASYDVZNEKAH-ROUUACIJSA-N 1 1 391.874 3.842 10 0 GHAEMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(=O)[nH]1 ZINC000253558339 891881702 /nfs/dbraw/zinc/88/17/02/891881702.db2.gz DUZASYDVZNEKAH-ROUUACIJSA-N 1 1 391.874 3.842 10 0 GHAEMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000253558988 891882069 /nfs/dbraw/zinc/88/20/69/891882069.db2.gz TUCGVJRRFQWRKF-SJLPKXTDSA-N 1 1 391.874 3.924 10 0 GHAEMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000253558988 891882084 /nfs/dbraw/zinc/88/20/84/891882084.db2.gz TUCGVJRRFQWRKF-SJLPKXTDSA-N 1 1 391.874 3.924 10 0 GHAEMO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333736992 902301946 /nfs/dbraw/zinc/30/19/46/902301946.db2.gz XAGTWXRJQRKWEY-PBHICJAKSA-N 1 1 375.904 3.595 10 0 GHAEMO Cc1cc(Br)c(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)s1 ZINC000333760339 902315227 /nfs/dbraw/zinc/31/52/27/902315227.db2.gz COCJUKOQGSISLU-XHDPSFHLSA-N 1 1 384.299 3.795 10 0 GHAEMO Cc1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)s1 ZINC000015779227 210169753 /nfs/dbraw/zinc/16/97/53/210169753.db2.gz CJEAXDHMMFBHMV-UHFFFAOYSA-N 1 1 394.500 3.920 10 0 GHAEMO Cc1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)s1 ZINC000015779227 210169756 /nfs/dbraw/zinc/16/97/56/210169756.db2.gz CJEAXDHMMFBHMV-UHFFFAOYSA-N 1 1 394.500 3.920 10 0 GHAEMO Cc1cnccc1CN(C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000015078945 210153054 /nfs/dbraw/zinc/15/30/54/210153054.db2.gz YWMHGNGXHJPWEC-QHCPKHFHSA-N 1 1 397.563 3.638 10 0 GHAEMO CCO[C@H](Cc1ccccc1)N1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000022859892 209238360 /nfs/dbraw/zinc/23/83/60/209238360.db2.gz DWMKWCBEXVXFQQ-XMMPIXPASA-N 1 1 380.532 3.791 10 0 GHAEMO COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccnc3)C2)c(C)c1C ZINC000011912598 570592122 /nfs/dbraw/zinc/59/21/22/570592122.db2.gz AUGUMXSMJRVRCB-YADHBBJMSA-N 1 1 393.531 3.720 10 0 GHAEMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000156516369 834422104 /nfs/dbraw/zinc/42/21/04/834422104.db2.gz POHMVEJAHWRSPX-SFHVURJKSA-N 1 1 396.453 3.788 10 0 GHAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cn1 ZINC000121900637 835143302 /nfs/dbraw/zinc/14/33/02/835143302.db2.gz SOMVKRWZORGOSS-UHFFFAOYSA-N 1 1 381.524 3.522 10 0 GHAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cn1 ZINC000121900637 835143308 /nfs/dbraw/zinc/14/33/08/835143308.db2.gz SOMVKRWZORGOSS-UHFFFAOYSA-N 1 1 381.524 3.522 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3occc3COc3ccccc3)CC2)[nH+]c1 ZINC000157936684 835161963 /nfs/dbraw/zinc/16/19/63/835161963.db2.gz COHJHLLDLOVFRB-UHFFFAOYSA-N 1 1 391.471 3.961 10 0 GHAEMO c1c2c(sc1-c1nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no1)-c1ccccc1OC2 ZINC000329547667 835212445 /nfs/dbraw/zinc/21/24/45/835212445.db2.gz BACPDTUCRUZJCH-BBRMVZONSA-N 1 1 381.457 3.893 10 0 GHAEMO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@H]4CCCC[N@@H+]4C[C@H]3C)c12 ZINC000329642873 835519546 /nfs/dbraw/zinc/51/95/46/835519546.db2.gz IQVKFIURNRVXBE-CRAIPNDOSA-N 1 1 390.487 3.897 10 0 GHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000245803193 844087947 /nfs/dbraw/zinc/08/79/47/844087947.db2.gz YDAUWMQEOOCMEY-HNAYVOBHSA-N 1 1 390.325 3.966 10 0 GHAEMO C[C@H](c1nnc(-c2cccs2)o1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000328742744 839722450 /nfs/dbraw/zinc/72/24/50/839722450.db2.gz JRIWUMQQCMVLJF-OWCLPIDISA-N 1 1 390.553 3.680 10 0 GHAEMO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)c12 ZINC000408155000 842507862 /nfs/dbraw/zinc/50/78/62/842507862.db2.gz SCYFIGUKMWKCIF-PBHICJAKSA-N 1 1 376.460 3.507 10 0 GHAEMO O=C(CC[N@H+]1CCCN(C(=O)c2cccs2)CC1)Nc1ccccc1Cl ZINC000112351911 843352950 /nfs/dbraw/zinc/35/29/50/843352950.db2.gz LXTNHUGWAWXMOL-UHFFFAOYSA-N 1 1 391.924 3.578 10 0 GHAEMO CCS[C@H]1CC[C@@H](N(C)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000151971764 846073179 /nfs/dbraw/zinc/07/31/79/846073179.db2.gz KLKBPWNHJBRMIJ-MSOLQXFVSA-N 1 1 376.570 3.674 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)CCc3cn(C)c4ccccc34)CC2)[nH+]c1 ZINC000152967025 847972808 /nfs/dbraw/zinc/97/28/08/847972808.db2.gz YUBPGGTUKLSFOG-UHFFFAOYSA-N 1 1 376.504 3.600 10 0 GHAEMO Cn1nc(C(F)F)c2cc(-c3nc([C@@H]4C[N@H+]5CCC[C@@]5(C)CO4)no3)sc21 ZINC000329646452 861896570 /nfs/dbraw/zinc/89/65/70/861896570.db2.gz BBQXAGWSSLABTR-BTDLBPIBSA-N 1 1 395.435 3.548 10 0 GHAEMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(Br)c3F)n1)OC2 ZINC000329668066 861977133 /nfs/dbraw/zinc/97/71/33/861977133.db2.gz LQSPTMHWDXOFDT-BLLLJJGKSA-N 1 1 382.233 3.564 10 0 GHAEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000101516009 851632460 /nfs/dbraw/zinc/63/24/60/851632460.db2.gz AZQIZCBBENLFAE-MRXNPFEDSA-N 1 1 395.425 3.964 10 0 GHAEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000328859553 854582352 /nfs/dbraw/zinc/58/23/52/854582352.db2.gz YNHNFKNDVAXBDE-IXSAPAIESA-N 1 1 387.564 3.703 10 0 GHAEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000328859551 854582470 /nfs/dbraw/zinc/58/24/70/854582470.db2.gz YNHNFKNDVAXBDE-DTMNMGFMSA-N 1 1 387.564 3.703 10 0 GHAEMO CC(C)c1cc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(O)c(C(C)C)c1 ZINC000125313797 854702298 /nfs/dbraw/zinc/70/22/98/854702298.db2.gz VJVWEASUIZKFPI-KRWDZBQOSA-N 1 1 388.552 3.964 10 0 GHAEMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2)C1 ZINC000247098322 855851844 /nfs/dbraw/zinc/85/18/44/855851844.db2.gz SCVGYQJGANRMNQ-WNOPAQSVSA-N 1 1 399.579 3.755 10 0 GHAEMO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(Cc3ccccc3OC)CC2)c1 ZINC000102410597 860262939 /nfs/dbraw/zinc/26/29/39/860262939.db2.gz FGIYBQUVNYHTCX-UHFFFAOYSA-N 1 1 398.503 3.606 10 0 GHAEMO Cc1cc(-c2cc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c3c(C)noc3n2)c(C)o1 ZINC000195073257 860422875 /nfs/dbraw/zinc/42/28/75/860422875.db2.gz LBOGUAQFXAYMRE-MRXNPFEDSA-N 1 1 394.475 3.718 10 0 GHAEMO Cc1cc(-c2cc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c3c(C)noc3n2)c(C)o1 ZINC000195073257 860422880 /nfs/dbraw/zinc/42/28/80/860422880.db2.gz LBOGUAQFXAYMRE-MRXNPFEDSA-N 1 1 394.475 3.718 10 0 GHAEMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912677 881607121 /nfs/dbraw/zinc/60/71/21/881607121.db2.gz UBNRQSGVLVQCRS-CABCVRRESA-N 1 1 375.538 3.771 10 0 GHAEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912677 881607132 /nfs/dbraw/zinc/60/71/32/881607132.db2.gz UBNRQSGVLVQCRS-CABCVRRESA-N 1 1 375.538 3.771 10 0 GHAEMO COc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1Cn1cccn1 ZINC000168016110 865085840 /nfs/dbraw/zinc/08/58/40/865085840.db2.gz VAVKJNDMBIOICI-QFBILLFUSA-N 1 1 394.523 3.841 10 0 GHAEMO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)n(C)nc3C(C)C)CC2)nc1 ZINC000091687870 882151915 /nfs/dbraw/zinc/15/19/15/882151915.db2.gz JBLYTKIPTYFFMD-UHFFFAOYSA-N 1 1 389.931 3.751 10 0 GHAEMO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000172350545 882185595 /nfs/dbraw/zinc/18/55/95/882185595.db2.gz GZVDVWVWGKAETK-JKSUJKDBSA-N 1 1 398.469 3.596 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N(C)Cc3nc4ccccc4s3)CC2)[nH+]c1 ZINC000173375627 882356677 /nfs/dbraw/zinc/35/66/77/882356677.db2.gz UGKVWLLKMJQDDF-UHFFFAOYSA-N 1 1 395.532 3.810 10 0 GHAEMO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000173682079 882392068 /nfs/dbraw/zinc/39/20/68/882392068.db2.gz SRISUWDODJKSIB-OAHLLOKOSA-N 1 1 377.916 3.520 10 0 GHAEMO CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000108815912 870645857 /nfs/dbraw/zinc/64/58/57/870645857.db2.gz SRAOPWYNNDDVNR-HNNXBMFYSA-N 1 1 382.508 3.781 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N(Cc3ccc(O)cc3)CC3CC3)CC2)[nH+]c1 ZINC000175280905 882564178 /nfs/dbraw/zinc/56/41/78/882564178.db2.gz AQRGJTKRZLDGSQ-UHFFFAOYSA-N 1 1 394.519 3.686 10 0 GHAEMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cc2ccccc2o1 ZINC000176408668 882691852 /nfs/dbraw/zinc/69/18/52/882691852.db2.gz CNIVDKKWUOYOSR-ZWOKBUDYSA-N 1 1 377.488 3.958 10 0 GHAEMO Cc1cccc(OCCCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116245343 873366124 /nfs/dbraw/zinc/36/61/24/873366124.db2.gz YBXZGXJAVXHZIC-UGKGYDQZSA-N 1 1 381.520 3.576 10 0 GHAEMO CC(C)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000116568276 873567629 /nfs/dbraw/zinc/56/76/29/873567629.db2.gz YASZXYPXXCIGOR-KNQAVFIVSA-N 1 1 380.536 3.912 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)[nH+]1 ZINC000116938782 873794819 /nfs/dbraw/zinc/79/48/19/873794819.db2.gz DVUJCUGJFAEZSL-ZBFHGGJFSA-N 1 1 384.446 3.779 10 0 GHAEMO COc1ccc([C@@H]2CCN(C(=O)NC3CCN(c4cccc(C)[nH+]4)CC3)C2)cc1 ZINC000116970302 873800404 /nfs/dbraw/zinc/80/04/04/873800404.db2.gz PERPZICEHGHOPD-LJQANCHMSA-N 1 1 394.519 3.567 10 0 GHAEMO Cc1nc2c(s1)[C@H](N(C)C(=O)NC1CCN(c3cccc(C)[nH+]3)CC1)CCC2 ZINC000117058016 873853403 /nfs/dbraw/zinc/85/34/03/873853403.db2.gz RRFDXBDODIHMNE-GOSISDBHSA-N 1 1 399.564 3.843 10 0 GHAEMO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183490569 883267704 /nfs/dbraw/zinc/26/77/04/883267704.db2.gz DJTUPSCQXWOIIT-AZUAARDMSA-N 1 1 385.533 3.865 10 0 GHAEMO COc1ccccc1CC1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000102564651 883562748 /nfs/dbraw/zinc/56/27/48/883562748.db2.gz YRYDKZYDKOFERG-KRWDZBQOSA-N 1 1 384.524 3.501 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000186428267 883644828 /nfs/dbraw/zinc/64/48/28/883644828.db2.gz ACEPYIJQKZOKKT-GCJKJVERSA-N 1 1 395.522 3.960 10 0 GHAEMO CC[N@@H+](Cc1ccc(C(=O)N2CCCN(c3ccccn3)CC2)cc1)C(C)C ZINC000186488940 883649428 /nfs/dbraw/zinc/64/94/28/883649428.db2.gz XWKPFKKHFKJXGP-UHFFFAOYSA-N 1 1 380.536 3.664 10 0 GHAEMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186631228 883676823 /nfs/dbraw/zinc/67/68/23/883676823.db2.gz SVYPKFLBHXNQTQ-IYBDPMFKSA-N 1 1 387.528 3.544 10 0 GHAEMO Cc1c([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000186652355 883682332 /nfs/dbraw/zinc/68/23/32/883682332.db2.gz AUXOFEIIYPREME-QRQCRPRQSA-N 1 1 390.466 3.889 10 0 GHAEMO Cc1c([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000186652373 883682466 /nfs/dbraw/zinc/68/24/66/883682466.db2.gz AUXOFEIIYPREME-NYHFZMIOSA-N 1 1 390.466 3.889 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2ccccc2F)CC1 ZINC000188420520 883849670 /nfs/dbraw/zinc/84/96/70/883849670.db2.gz XNMXBGJIUZWRJO-UWJYYQICSA-N 1 1 381.495 3.570 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000188802874 883878916 /nfs/dbraw/zinc/87/89/16/883878916.db2.gz GKCHMXHNKMVLJG-UGKGYDQZSA-N 1 1 392.547 3.665 10 0 GHAEMO COc1ccccc1-c1nnc(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)o1 ZINC000192135037 884242940 /nfs/dbraw/zinc/24/29/40/884242940.db2.gz AKSKKNWCOBCXBV-LPHOPBHVSA-N 1 1 387.386 3.643 10 0 GHAEMO Cc1ccc(-c2cc(C[N@@H+]3CCCN(Cc4noc(C5CC5)n4)CC3)on2)cc1 ZINC000106150351 886027353 /nfs/dbraw/zinc/02/73/53/886027353.db2.gz PQPAHTSFWXKEHR-UHFFFAOYSA-N 1 1 393.491 3.618 10 0 GHAEMO Cc1ccc(-c2cc(C[N@H+]3CCCN(Cc4noc(C5CC5)n4)CC3)on2)cc1 ZINC000106150351 886027364 /nfs/dbraw/zinc/02/73/64/886027364.db2.gz PQPAHTSFWXKEHR-UHFFFAOYSA-N 1 1 393.491 3.618 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000116249684 886358780 /nfs/dbraw/zinc/35/87/80/886358780.db2.gz BOXDJSGRSAESHK-APWZRJJASA-N 1 1 392.528 3.846 10 0 GHAEMO CCOCc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116496100 886363203 /nfs/dbraw/zinc/36/32/03/886363203.db2.gz QMZKUKCENKHMRB-LAUBAEHRSA-N 1 1 382.508 3.650 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000116542270 886364897 /nfs/dbraw/zinc/36/48/97/886364897.db2.gz UGBVZFXQGPRHSP-KUHUBIRLSA-N 1 1 390.890 3.584 10 0 GHAEMO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000120822889 886531684 /nfs/dbraw/zinc/53/16/84/886531684.db2.gz WUMCYBPINHNTIO-RDJZCZTQSA-N 1 1 381.480 3.937 10 0 GHAEMO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000120822889 886531703 /nfs/dbraw/zinc/53/17/03/886531703.db2.gz WUMCYBPINHNTIO-RDJZCZTQSA-N 1 1 381.480 3.937 10 0 GHAEMO Cc1nc(-c2c[nH]c(C(=O)NC3CCN(c4ccc(C)c[nH+]4)CC3)c2)cs1 ZINC000124214639 886719131 /nfs/dbraw/zinc/71/91/31/886719131.db2.gz FOZDRUDOQLODPB-UHFFFAOYSA-N 1 1 381.505 3.549 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000125409998 886863763 /nfs/dbraw/zinc/86/37/63/886863763.db2.gz UNWXKSWJCPJNER-RBBKRZOGSA-N 1 1 396.535 3.552 10 0 GHAEMO CC[C@H](C)n1ncc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c1C1CC1 ZINC000125889651 886908436 /nfs/dbraw/zinc/90/84/36/886908436.db2.gz PCGPCNDCLALAFW-INIZCTEOSA-N 1 1 381.524 3.834 10 0 GHAEMO CC[N@@H+]1CCc2nc(NC(=O)c3nn(CC(C)C)cc3C(F)F)sc2C1 ZINC000134469838 887874614 /nfs/dbraw/zinc/87/46/14/887874614.db2.gz ZBBDLYLAWULEPH-UHFFFAOYSA-N 1 1 383.468 3.564 10 0 GHAEMO CC[N@H+]1CCc2nc(NC(=O)c3nn(CC(C)C)cc3C(F)F)sc2C1 ZINC000134469838 887874619 /nfs/dbraw/zinc/87/46/19/887874619.db2.gz ZBBDLYLAWULEPH-UHFFFAOYSA-N 1 1 383.468 3.564 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000245408105 888747704 /nfs/dbraw/zinc/74/77/04/888747704.db2.gz FPUGWLVRCWSYEB-WMZHIEFXSA-N 1 1 392.547 3.712 10 0 GHAEMO COc1cc(OC)cc([C@@H](O)CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245728348 889515646 /nfs/dbraw/zinc/51/56/46/889515646.db2.gz PVULUVAMEKFTBL-JCUDRXCFSA-N 1 1 396.531 3.522 10 0 GHAEMO COc1cc(OC)cc([C@@H](O)CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245728348 889515662 /nfs/dbraw/zinc/51/56/62/889515662.db2.gz PVULUVAMEKFTBL-JCUDRXCFSA-N 1 1 396.531 3.522 10 0 GHAEMO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245728348 889515669 /nfs/dbraw/zinc/51/56/69/889515669.db2.gz PVULUVAMEKFTBL-JCUDRXCFSA-N 1 1 396.531 3.522 10 0 GHAEMO CCCCN(C)c1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000245941467 890050498 /nfs/dbraw/zinc/05/04/98/890050498.db2.gz VECVEHIXXDASIJ-SFHVURJKSA-N 1 1 388.556 3.640 10 0 GHAEMO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccccc1C(F)(F)F ZINC000246666867 891295938 /nfs/dbraw/zinc/29/59/38/891295938.db2.gz QGYFYGNZYLHLFU-CZUORRHYSA-N 1 1 382.382 3.825 10 0 GHAEMO O=C(C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccccc1C(F)(F)F ZINC000246666867 891295954 /nfs/dbraw/zinc/29/59/54/891295954.db2.gz QGYFYGNZYLHLFU-CZUORRHYSA-N 1 1 382.382 3.825 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(F)cc1Cl ZINC000246811505 891310771 /nfs/dbraw/zinc/31/07/71/891310771.db2.gz BNYFQSFWMSJQNN-SUMWQHHRSA-N 1 1 376.863 3.906 10 0 GHAEMO O=S(=O)(CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000247058377 891339816 /nfs/dbraw/zinc/33/98/16/891339816.db2.gz OVWODDZCLRDCJM-SJLPKXTDSA-N 1 1 379.547 3.500 10 0 GHAEMO O=S(=O)(CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000247058377 891339824 /nfs/dbraw/zinc/33/98/24/891339824.db2.gz OVWODDZCLRDCJM-SJLPKXTDSA-N 1 1 379.547 3.500 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000247078554 891343370 /nfs/dbraw/zinc/34/33/70/891343370.db2.gz CVGQOALNJROYTD-KPZWWZAWSA-N 1 1 379.838 3.654 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000247140207 891347959 /nfs/dbraw/zinc/34/79/59/891347959.db2.gz HPNQAPFSDCGBMV-QQUTXWOLSA-N 1 1 393.531 3.576 10 0 GHAEMO C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247562151 891385709 /nfs/dbraw/zinc/38/57/09/891385709.db2.gz UXQDLRBQYSMDGA-CBGDNZLLSA-N 1 1 384.499 3.834 10 0 GHAEMO c1coc(-c2nnc(CN3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)o2)c1 ZINC000247923459 891400021 /nfs/dbraw/zinc/40/00/21/891400021.db2.gz BKAKVVNBOFDGSA-RTBURBONSA-N 1 1 378.476 3.816 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC[C@H]21 ZINC000248183739 891415887 /nfs/dbraw/zinc/41/58/87/891415887.db2.gz WYLAIUJZXIJSJU-SJLPKXTDSA-N 1 1 383.517 3.557 10 0 GHAEMO Cc1ccc(C(=O)CCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000248721591 891461579 /nfs/dbraw/zinc/46/15/79/891461579.db2.gz MDAMDBLKAKDZBY-DENIHFKCSA-N 1 1 393.531 3.770 10 0 GHAEMO Cc1ccc(C(=O)CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000248721591 891461585 /nfs/dbraw/zinc/46/15/85/891461585.db2.gz MDAMDBLKAKDZBY-DENIHFKCSA-N 1 1 393.531 3.770 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Br)c(F)cc3F)CC[C@H]21 ZINC000248859668 891475780 /nfs/dbraw/zinc/47/57/80/891475780.db2.gz RSAQQIZACVWQDB-MEBBXXQBSA-N 1 1 388.256 3.675 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000249294940 891513374 /nfs/dbraw/zinc/51/33/74/891513374.db2.gz KEEYVIZLLIVADE-XJKSGUPXSA-N 1 1 393.413 3.528 10 0 GHAEMO C[C@@H]1CCC[C@H](CCNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)C1 ZINC000333430458 902083532 /nfs/dbraw/zinc/08/35/32/902083532.db2.gz JYCBOHWXXXLWKC-WERVVEIQSA-N 1 1 389.588 3.661 10 0 GHAEMO C[NH+]1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)CC1 ZINC000039380977 136153698 /nfs/dbraw/zinc/15/36/98/136153698.db2.gz JZGAOIRKSAPCBY-UHFFFAOYSA-N 1 1 389.381 3.569 10 0 GHAEMO COc1cccc(C(=O)Nc2ccc(N3CCC[N@@H+](CCC(C)C)CC3)nc2)c1 ZINC000034681788 570300337 /nfs/dbraw/zinc/30/03/37/570300337.db2.gz DCYIEVFQSGYJTB-UHFFFAOYSA-N 1 1 396.535 3.901 10 0 GHAEMO COc1ccc(C[N@@H+](Cc2ccc(C(C)(C)O)o2)C[C@H]2CCCO2)cc1OC ZINC000036156203 570553609 /nfs/dbraw/zinc/55/36/09/570553609.db2.gz CAUZHYYMDVQTCY-QGZVFWFLSA-N 1 1 389.492 3.705 10 0 GHAEMO COc1ccc(C[N@H+](Cc2ccc(C(C)(C)O)o2)C[C@H]2CCCO2)cc1OC ZINC000036156203 570553613 /nfs/dbraw/zinc/55/36/13/570553613.db2.gz CAUZHYYMDVQTCY-QGZVFWFLSA-N 1 1 389.492 3.705 10 0 GHAEMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](C)O ZINC000036301522 570602380 /nfs/dbraw/zinc/60/23/80/570602380.db2.gz ANGDYPMBGREDJP-GOSISDBHSA-N 1 1 395.503 3.709 10 0 GHAEMO Cc1ccc(C[N@H+]2CCc3c(cc(C(=O)N[C@@H](C)c4ccccn4)n3C)C2)cc1 ZINC000065307380 570788696 /nfs/dbraw/zinc/78/86/96/570788696.db2.gz QMWYPHDYTHCQNB-SFHVURJKSA-N 1 1 388.515 3.778 10 0 GHAEMO Cc1ccc(C[N@@H+]2CCc3c(cc(C(=O)N[C@@H](C)c4ccccn4)n3C)C2)cc1 ZINC000065307380 570788699 /nfs/dbraw/zinc/78/86/99/570788699.db2.gz QMWYPHDYTHCQNB-SFHVURJKSA-N 1 1 388.515 3.778 10 0 GHAEMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000156516229 834422226 /nfs/dbraw/zinc/42/22/26/834422226.db2.gz POHMVEJAHWRSPX-GOSISDBHSA-N 1 1 396.453 3.788 10 0 GHAEMO CCC(CC)c1nnc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000156747334 834536604 /nfs/dbraw/zinc/53/66/04/834536604.db2.gz ICUVPFGRZFCUBQ-UHFFFAOYSA-N 1 1 376.530 3.662 10 0 GHAEMO Cc1sc2nc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccccc3)[nH]c(=O)c2c1C ZINC000163182461 834628577 /nfs/dbraw/zinc/62/85/77/834628577.db2.gz AMZCJHCHIJUNFZ-IRXDYDNUSA-N 1 1 383.517 3.690 10 0 GHAEMO Cc1sc2nc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccccc3)[nH]c(=O)c2c1C ZINC000163182461 834628588 /nfs/dbraw/zinc/62/85/88/834628588.db2.gz AMZCJHCHIJUNFZ-IRXDYDNUSA-N 1 1 383.517 3.690 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)CC2)[nH+]c1 ZINC000157746616 835080442 /nfs/dbraw/zinc/08/04/42/835080442.db2.gz AEMBTMVDLGVPDJ-UHFFFAOYSA-N 1 1 394.450 3.512 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3ccc(Br)cc3F)CC2)[nH+]c1 ZINC000157864212 835129786 /nfs/dbraw/zinc/12/97/86/835129786.db2.gz XYEVTVVIXZHODD-UHFFFAOYSA-N 1 1 392.272 3.690 10 0 GHAEMO Cc1onc(-c2ccccc2)c1-c1nnc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)o1 ZINC000329682874 835673847 /nfs/dbraw/zinc/67/38/47/835673847.db2.gz YVAUPUCGACVRRC-YJBOKZPZSA-N 1 1 393.491 3.759 10 0 GHAEMO CCc1ccc(C(=O)Nc2sccc2C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000113222344 836855655 /nfs/dbraw/zinc/85/56/55/836855655.db2.gz NWJZEQNNVWNWSP-YJBOKZPZSA-N 1 1 397.544 3.872 10 0 GHAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000246429079 841214072 /nfs/dbraw/zinc/21/40/72/841214072.db2.gz MUVHCPWUZPXMJJ-UZLBHIALSA-N 1 1 384.524 3.906 10 0 GHAEMO O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000153864987 842239333 /nfs/dbraw/zinc/23/93/33/842239333.db2.gz KVGBIMXYGPEQKR-YADHBBJMSA-N 1 1 382.479 3.517 10 0 GHAEMO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)c12 ZINC000247495840 842566067 /nfs/dbraw/zinc/56/60/67/842566067.db2.gz UPGQJSVWIOJXTA-QAPCUYQASA-N 1 1 390.487 3.815 10 0 GHAEMO Cc1ccccc1-c1nc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000162363816 843239704 /nfs/dbraw/zinc/23/97/04/843239704.db2.gz YHVMOCLOJIRAER-UHFFFAOYSA-N 1 1 380.517 3.947 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000162546699 843273155 /nfs/dbraw/zinc/27/31/55/843273155.db2.gz RZSLJGNNNYOYNM-KRWDZBQOSA-N 1 1 379.426 3.937 10 0 GHAEMO O=C(Nc1ccc(N2CCCC2)c(Cl)c1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000151595779 845282205 /nfs/dbraw/zinc/28/22/05/845282205.db2.gz TXJCEHFVHAZBQM-IBGZPJMESA-N 1 1 377.916 3.522 10 0 GHAEMO c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@H]3CN4CCC[C@@H]4CO3)no1)CC2 ZINC000329747801 862287981 /nfs/dbraw/zinc/28/79/81/862287981.db2.gz ZPUICDTWBZKXTK-ZHALLVOQSA-N 1 1 397.523 3.580 10 0 GHAEMO COc1ccc(-c2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)cs2)cc1OC ZINC000246730153 852544225 /nfs/dbraw/zinc/54/42/25/852544225.db2.gz GDOYSBNQSAVVFQ-KKSFZXQISA-N 1 1 388.533 3.954 10 0 GHAEMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)C1 ZINC000328607795 854481625 /nfs/dbraw/zinc/48/16/25/854481625.db2.gz LLEPXPKOLQQSOS-HMFYCAOWSA-N 1 1 380.492 3.609 10 0 GHAEMO CC[N@H+](C)[C@H](C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccccc1 ZINC000104052078 864165890 /nfs/dbraw/zinc/16/58/90/864165890.db2.gz CANNMHZUEQZQHY-IBGZPJMESA-N 1 1 375.476 3.981 10 0 GHAEMO CC[N@@H+](C)[C@H](C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccccc1 ZINC000104052078 864165902 /nfs/dbraw/zinc/16/59/02/864165902.db2.gz CANNMHZUEQZQHY-IBGZPJMESA-N 1 1 375.476 3.981 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N3CC=C(c4cccs4)CC3)CC2)[nH+]c1 ZINC000173374872 882357786 /nfs/dbraw/zinc/35/77/86/882357786.db2.gz BZHYOGWZXAXNIB-UHFFFAOYSA-N 1 1 382.533 3.919 10 0 GHAEMO COc1ccc2sc(C(=O)N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)c(C)c2c1 ZINC000173625555 882387516 /nfs/dbraw/zinc/38/75/16/882387516.db2.gz ASXWDFCCMXTAQE-AWEZNQCLSA-N 1 1 388.533 3.544 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000116245830 873365847 /nfs/dbraw/zinc/36/58/47/873365847.db2.gz ILODSFXTMZEAEX-DOVSJBTNSA-N 1 1 383.923 3.865 10 0 GHAEMO CCCc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000116244634 873366797 /nfs/dbraw/zinc/36/67/97/873366797.db2.gz CBIOVHNEIKKBNV-MGPUTAFESA-N 1 1 396.535 3.514 10 0 GHAEMO CCCc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000116244634 873366815 /nfs/dbraw/zinc/36/68/15/873366815.db2.gz CBIOVHNEIKKBNV-MGPUTAFESA-N 1 1 396.535 3.514 10 0 GHAEMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)s1 ZINC000176606331 882718717 /nfs/dbraw/zinc/71/87/17/882718717.db2.gz RCEGUCKMRUPYIS-DZKIICNBSA-N 1 1 377.941 3.927 10 0 GHAEMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 ZINC000102763329 873568667 /nfs/dbraw/zinc/56/86/67/873568667.db2.gz YZHZJWCLKIUXAG-ZIAGYGMSSA-N 1 1 387.446 3.598 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CCc3nc4ccccc4s3)CC2)[nH+]1 ZINC000116668222 873614664 /nfs/dbraw/zinc/61/46/64/873614664.db2.gz OGCDYSZBBMVLJV-UHFFFAOYSA-N 1 1 380.517 3.718 10 0 GHAEMO COCCn1c(C)c(C)n(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1=S ZINC000102921218 873881371 /nfs/dbraw/zinc/88/13/71/873881371.db2.gz OFLWZZRBDMGQPS-QGZVFWFLSA-N 1 1 389.521 3.806 10 0 GHAEMO COCCn1c(C)c(C)n(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1=S ZINC000102921218 873881383 /nfs/dbraw/zinc/88/13/83/873881383.db2.gz OFLWZZRBDMGQPS-QGZVFWFLSA-N 1 1 389.521 3.806 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000179698252 883020619 /nfs/dbraw/zinc/02/06/19/883020619.db2.gz TXFPPJGNIAALOC-UWJYYQICSA-N 1 1 375.476 3.986 10 0 GHAEMO CCC(CC)n1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000121841500 877900069 /nfs/dbraw/zinc/90/00/69/877900069.db2.gz XSFFGIYOXJQMMU-KKSFZXQISA-N 1 1 383.540 3.588 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)CC3(CSc4ccccc4)CC3)CC2)CCO1 ZINC000184175302 883327474 /nfs/dbraw/zinc/32/74/74/883327474.db2.gz FIBDCWRZBNRRHG-SFHVURJKSA-N 1 1 388.577 3.661 10 0 GHAEMO COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000184059686 883332172 /nfs/dbraw/zinc/33/21/72/883332172.db2.gz OHXHJHUJUNKPKC-CQSZACIVSA-N 1 1 390.871 3.636 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)[nH+]c1 ZINC000185812916 883576241 /nfs/dbraw/zinc/57/62/41/883576241.db2.gz LSIALNNJUOTBLE-JKSUJKDBSA-N 1 1 389.421 3.696 10 0 GHAEMO Cn1nc(-c2ccccc2)c(C[N@H+]2CCSC3(CCOCC3)C2)c1Cl ZINC000186500053 883651169 /nfs/dbraw/zinc/65/11/69/883651169.db2.gz VWHVRGDIJRVKDC-UHFFFAOYSA-N 1 1 377.941 3.839 10 0 GHAEMO COc1cnccc1[C@H](C)[NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000187083655 883752698 /nfs/dbraw/zinc/75/26/98/883752698.db2.gz LWQSOVSBTONOHZ-INIZCTEOSA-N 1 1 390.487 3.538 10 0 GHAEMO CSCc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000187184506 883759766 /nfs/dbraw/zinc/75/97/66/883759766.db2.gz AHOQYPSHRZEGQR-UWJYYQICSA-N 1 1 398.576 3.654 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2ccccc2F)CC1 ZINC000188420497 883849540 /nfs/dbraw/zinc/84/95/40/883849540.db2.gz XNMXBGJIUZWRJO-UTKZUKDTSA-N 1 1 381.495 3.570 10 0 GHAEMO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC(C)C)c1 ZINC000191713858 884206330 /nfs/dbraw/zinc/20/63/30/884206330.db2.gz BSHUIEAETYNOND-UTKZUKDTSA-N 1 1 397.519 3.518 10 0 GHAEMO CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000116522785 886364029 /nfs/dbraw/zinc/36/40/29/886364029.db2.gz WQAMGSPDQJNMPO-BULFRSBZSA-N 1 1 396.535 3.751 10 0 GHAEMO CCOc1cccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116539336 886365623 /nfs/dbraw/zinc/36/56/23/886365623.db2.gz DUJJAOIQMROVSC-NPPFBWRTSA-N 1 1 396.535 3.751 10 0 GHAEMO C[C@@H](c1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000332824314 886551259 /nfs/dbraw/zinc/55/12/59/886551259.db2.gz IBXVZOUFKPNIJJ-OXJNMPFZSA-N 1 1 381.476 3.725 10 0 GHAEMO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000124216091 886719442 /nfs/dbraw/zinc/71/94/42/886719442.db2.gz GYJJMSBUEJEKIW-UHFFFAOYSA-N 1 1 389.503 3.591 10 0 GHAEMO CCCOCc1ccccc1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000124409592 886744361 /nfs/dbraw/zinc/74/43/61/886744361.db2.gz ULXYCTDRISXBNZ-UHFFFAOYSA-N 1 1 384.524 3.511 10 0 GHAEMO C[C@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1cccc(N2CCCC2)c1 ZINC000129450398 887301472 /nfs/dbraw/zinc/30/14/72/887301472.db2.gz JXZXSJCUWOMNLL-SFHVURJKSA-N 1 1 395.551 3.746 10 0 GHAEMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245623860 889084291 /nfs/dbraw/zinc/08/42/91/889084291.db2.gz OKRGZQJIYGFYPN-PERKRYKHSA-N 1 1 391.515 3.642 10 0 GHAEMO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[C@H]1c1ccccc1 ZINC000245675778 889205157 /nfs/dbraw/zinc/20/51/57/889205157.db2.gz FUWJAUITRWLWKN-RPHTVSPISA-N 1 1 378.520 3.695 10 0 GHAEMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245689025 889229395 /nfs/dbraw/zinc/22/93/95/889229395.db2.gz LIIJDBYBKMDRCS-UXHICEINSA-N 1 1 395.503 3.599 10 0 GHAEMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245689025 889229408 /nfs/dbraw/zinc/22/94/08/889229408.db2.gz LIIJDBYBKMDRCS-UXHICEINSA-N 1 1 395.503 3.599 10 0 GHAEMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1csc([C@H]2CCCO2)n1 ZINC000245693206 889244645 /nfs/dbraw/zinc/24/46/45/889244645.db2.gz KAXLIIZKNKETSR-WMLDXEAASA-N 1 1 391.562 3.698 10 0 GHAEMO COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OCc1cccnc1 ZINC000245720355 889444019 /nfs/dbraw/zinc/44/40/19/889444019.db2.gz DGNXUXJSAXUCFM-NHCUHLMSSA-N 1 1 381.520 3.585 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1OC(F)(F)F ZINC000246080577 890319556 /nfs/dbraw/zinc/31/95/56/890319556.db2.gz UYADZWNDASFUJK-WMLDXEAASA-N 1 1 393.409 3.621 10 0 GHAEMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](c4nccs4)C3)CC2)cs1 ZINC000068355297 891177063 /nfs/dbraw/zinc/17/70/63/891177063.db2.gz QPOXTPKEFXGVBD-INIZCTEOSA-N 1 1 390.578 3.526 10 0 GHAEMO CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246574660 891288147 /nfs/dbraw/zinc/28/81/47/891288147.db2.gz OGOWVDCBSDZLGS-GSEOLPGOSA-N 1 1 390.597 3.608 10 0 GHAEMO Cc1oc(-c2ccco2)nc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247019373 891333377 /nfs/dbraw/zinc/33/33/77/891333377.db2.gz MAZAFEZLOSKDTO-LPHOPBHVSA-N 1 1 393.487 3.955 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000247046999 891338240 /nfs/dbraw/zinc/33/82/40/891338240.db2.gz APQJCUXXIPQCLE-OXQOHEQNSA-N 1 1 383.923 3.793 10 0 GHAEMO O=S1(=O)CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000248576431 891465063 /nfs/dbraw/zinc/46/50/63/891465063.db2.gz TZQYYHMZPUBODS-GFSYIJCISA-N 1 1 396.556 3.690 10 0 GHAEMO O=S1(=O)CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000248576431 891465068 /nfs/dbraw/zinc/46/50/68/891465068.db2.gz TZQYYHMZPUBODS-GFSYIJCISA-N 1 1 396.556 3.690 10 0 GHAEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)[C@@H](C)C1 ZINC000248875485 891477847 /nfs/dbraw/zinc/47/78/47/891477847.db2.gz CIVYZUNWPRVIGQ-KSSFIOAISA-N 1 1 398.473 3.759 10 0 GHAEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 ZINC000249287677 891484775 /nfs/dbraw/zinc/48/47/75/891484775.db2.gz JGTGSJRJSMPGAD-QZTJIDSGSA-N 1 1 396.539 3.600 10 0 GHAEMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(OC3COC3)cc2)C1 ZINC000249285205 891484801 /nfs/dbraw/zinc/48/48/01/891484801.db2.gz PBPFXZVWXFHWOC-ZWKOTPCHSA-N 1 1 387.524 3.583 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc2ccn(C)c21 ZINC000249054037 891491055 /nfs/dbraw/zinc/49/10/55/891491055.db2.gz OPXFLKUNBHTVBO-VQIMIIECSA-N 1 1 377.492 3.605 10 0 GHAEMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1Cc2ccccc2[C@H]1O ZINC000252736277 891731858 /nfs/dbraw/zinc/73/18/58/891731858.db2.gz TWEJTSRLMHTESH-IEBWSBKVSA-N 1 1 378.394 3.624 10 0 GHAEMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1Cc2ccccc2[C@H]1O ZINC000252736277 891731869 /nfs/dbraw/zinc/73/18/69/891731869.db2.gz TWEJTSRLMHTESH-IEBWSBKVSA-N 1 1 378.394 3.624 10 0 GHAEMO CCCOc1cc(C)ccc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000079534445 892415865 /nfs/dbraw/zinc/41/58/65/892415865.db2.gz DYCWSEXIFNOMLL-KRWDZBQOSA-N 1 1 375.513 3.501 10 0 GHAEMO Cc1c2cc(F)ccc2oc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000333089486 899951630 /nfs/dbraw/zinc/95/16/30/899951630.db2.gz ZEYYCEOZADHOFD-MGPUTAFESA-N 1 1 398.482 3.769 10 0 GHAEMO OCC[NH2+]CCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013732776 210086353 /nfs/dbraw/zinc/08/63/53/210086353.db2.gz AVFMKHDGBVTTSU-UHFFFAOYSA-N 1 1 383.319 3.634 10 0 GHAEMO O=C(N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)C(Cl)(Cl)Cl ZINC000006094316 209233441 /nfs/dbraw/zinc/23/34/41/209233441.db2.gz JGCSGGCUMJTQTI-UHFFFAOYSA-N 1 1 393.101 3.907 10 0 GHAEMO Cc1cccc(C[N@H+]2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)n1 ZINC000012167505 221161646 /nfs/dbraw/zinc/16/16/46/221161646.db2.gz FJUNZLBPAPBYBT-UHFFFAOYSA-N 1 1 375.520 3.971 10 0 GHAEMO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1[C@H](C(=O)OC)c1ccccc1 ZINC000503990671 533369554 /nfs/dbraw/zinc/36/95/54/533369554.db2.gz OMTBLFCKFVDJFM-NJYVYQBISA-N 1 1 381.472 3.712 10 0 GHAEMO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1[C@H](C(=O)OC)c1ccccc1 ZINC000503990671 533369557 /nfs/dbraw/zinc/36/95/57/533369557.db2.gz OMTBLFCKFVDJFM-NJYVYQBISA-N 1 1 381.472 3.712 10 0 GHAEMO CCOc1ccc(OCC)c(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000156688383 834502997 /nfs/dbraw/zinc/50/29/97/834502997.db2.gz BSUWPTTVNOEKTD-UHFFFAOYSA-N 1 1 386.496 3.704 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3cnn(CC(C)C)c3C3CC3)CC2)[nH+]c1 ZINC000157471463 834932918 /nfs/dbraw/zinc/93/29/18/834932918.db2.gz CNDKHTXNNLXBQL-UHFFFAOYSA-N 1 1 381.524 3.519 10 0 GHAEMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CCCc3sccc32)CC1 ZINC000123388841 839361496 /nfs/dbraw/zinc/36/14/96/839361496.db2.gz FGMBZXWPJAQUCZ-KRWDZBQOSA-N 1 1 397.544 3.584 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000106208062 840761742 /nfs/dbraw/zinc/76/17/42/840761742.db2.gz YGODEKVHMBNXTO-RTWAWAEBSA-N 1 1 380.536 3.758 10 0 GHAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000106217106 840779878 /nfs/dbraw/zinc/77/98/78/840779878.db2.gz DFHSNSGEOXQCIT-GWZYHKFFSA-N 1 1 384.568 3.556 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 ZINC000162727058 842856354 /nfs/dbraw/zinc/85/63/54/842856354.db2.gz FOUFLGWNFDLXQV-UHFFFAOYSA-N 1 1 384.480 3.778 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000162504085 843267276 /nfs/dbraw/zinc/26/72/76/843267276.db2.gz TZMDHZQLVUTDLX-UHFFFAOYSA-N 1 1 389.503 3.578 10 0 GHAEMO C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1F ZINC000152038147 846165303 /nfs/dbraw/zinc/16/53/03/846165303.db2.gz NYDFRBCBOVUYTB-ZOCZFRKYSA-N 1 1 387.474 3.880 10 0 GHAEMO Cc1nn2c(C[N@H+]3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)c(C(C)C)nc2s1 ZINC000329841348 862365909 /nfs/dbraw/zinc/36/59/09/862365909.db2.gz OMOAOTPRQNXVDS-KMANFZQXSA-N 1 1 376.570 3.984 10 0 GHAEMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000247033857 855585832 /nfs/dbraw/zinc/58/58/32/855585832.db2.gz NTCBZPCWKWIQAX-CKUXNOBLSA-N 1 1 399.579 3.898 10 0 GHAEMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2)C1 ZINC000247098305 855852194 /nfs/dbraw/zinc/85/21/94/855852194.db2.gz SCVGYQJGANRMNQ-UCFCWBNQSA-N 1 1 399.579 3.755 10 0 GHAEMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000162203946 859827595 /nfs/dbraw/zinc/82/75/95/859827595.db2.gz NTCBZPCWKWIQAX-ZFJSRUIDSA-N 1 1 399.579 3.898 10 0 GHAEMO O=C1[C@H]([N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CCCN1c1ccccc1Cl ZINC000329058031 860981392 /nfs/dbraw/zinc/98/13/92/860981392.db2.gz TXAOTHNPTAPWHI-WMLDXEAASA-N 1 1 386.883 3.585 10 0 GHAEMO O=C1[C@H]([N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CCCN1c1ccccc1Cl ZINC000329058031 860981411 /nfs/dbraw/zinc/98/14/11/860981411.db2.gz TXAOTHNPTAPWHI-WMLDXEAASA-N 1 1 386.883 3.585 10 0 GHAEMO C[C@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)CC2)C1 ZINC000329195080 861125759 /nfs/dbraw/zinc/12/57/59/861125759.db2.gz UAJRMZULBOTVBE-QLIIJSOBSA-N 1 1 388.556 3.800 10 0 GHAEMO O=C(C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)NC1CCCCC1 ZINC000102401495 865117226 /nfs/dbraw/zinc/11/72/26/865117226.db2.gz POIGOYLUTDGROI-INIZCTEOSA-N 1 1 386.471 3.504 10 0 GHAEMO O=C(C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)NC1CCCCC1 ZINC000102401495 865117233 /nfs/dbraw/zinc/11/72/33/865117233.db2.gz POIGOYLUTDGROI-INIZCTEOSA-N 1 1 386.471 3.504 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)NCc3coc(-c4cccs4)n3)CC2)[nH+]1 ZINC000172053729 882165775 /nfs/dbraw/zinc/16/57/75/882165775.db2.gz FKIDCKVIKVDQGO-UHFFFAOYSA-N 1 1 397.504 3.575 10 0 GHAEMO CCc1nccn1[C@H]1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)C1 ZINC000153055917 869044502 /nfs/dbraw/zinc/04/45/02/869044502.db2.gz WBOCDEFNFABMBE-OALUTQOASA-N 1 1 389.588 3.693 10 0 GHAEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(Br)cc4c3OCC4)C2)no1 ZINC000153826593 869352847 /nfs/dbraw/zinc/35/28/47/869352847.db2.gz LZIWEDYEODOILQ-CYBMUJFWSA-N 1 1 392.297 3.530 10 0 GHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc(Br)cc4c3OCC4)C2)no1 ZINC000153826593 869352855 /nfs/dbraw/zinc/35/28/55/869352855.db2.gz LZIWEDYEODOILQ-CYBMUJFWSA-N 1 1 392.297 3.530 10 0 GHAEMO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)nn1 ZINC000106073281 870616868 /nfs/dbraw/zinc/61/68/68/870616868.db2.gz BOTJDOZWGQSYDI-HNNXBMFYSA-N 1 1 398.898 3.762 10 0 GHAEMO Cc1ccc(N2CCC[N@H+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)nn1 ZINC000106073281 870616870 /nfs/dbraw/zinc/61/68/70/870616870.db2.gz BOTJDOZWGQSYDI-HNNXBMFYSA-N 1 1 398.898 3.762 10 0 GHAEMO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000105055759 882619588 /nfs/dbraw/zinc/61/95/88/882619588.db2.gz DBRQXPXAIMEMLO-HNNXBMFYSA-N 1 1 394.947 3.816 10 0 GHAEMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000175791286 882628073 /nfs/dbraw/zinc/62/80/73/882628073.db2.gz JHNYKZUOGHCQRN-WOJBJXKFSA-N 1 1 399.564 3.737 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000116248126 873368836 /nfs/dbraw/zinc/36/88/36/873368836.db2.gz GRRQFZXPMRECME-WADNSWHXSA-N 1 1 392.528 3.731 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3ccc(-c4ccco4)nc3C)CC2)[nH+]1 ZINC000116667929 873614600 /nfs/dbraw/zinc/61/46/00/873614600.db2.gz DHKVSGADCDTKPG-UHFFFAOYSA-N 1 1 376.460 3.752 10 0 GHAEMO COc1cccc(F)c1[C@@H](C)NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000176855908 882744484 /nfs/dbraw/zinc/74/44/84/882744484.db2.gz RGIUGDBZDLCLFN-OAHLLOKOSA-N 1 1 386.471 3.567 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)[nH+]1 ZINC000116999769 873804770 /nfs/dbraw/zinc/80/47/70/873804770.db2.gz IPBIDCPWVWNOHY-UHFFFAOYSA-N 1 1 393.491 3.529 10 0 GHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC000152407769 882852085 /nfs/dbraw/zinc/85/20/85/882852085.db2.gz OTKKQNYAMZXPTG-ZWKOTPCHSA-N 1 1 398.507 3.715 10 0 GHAEMO CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179753385 883026638 /nfs/dbraw/zinc/02/66/38/883026638.db2.gz YSYQDLDNERHKSJ-UHFFFAOYSA-N 1 1 380.964 3.812 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1OC(F)(F)F ZINC000180229001 883069058 /nfs/dbraw/zinc/06/90/58/883069058.db2.gz UYADZWNDASFUJK-YOEHRIQHSA-N 1 1 393.409 3.621 10 0 GHAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000093585064 878814267 /nfs/dbraw/zinc/81/42/67/878814267.db2.gz YDAUWMQEOOCMEY-DNVCBOLYSA-N 1 1 390.325 3.966 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)C[C@@H]3c3cccnc3)CC2)[nH+]c1 ZINC000183587948 883290063 /nfs/dbraw/zinc/29/00/63/883290063.db2.gz FPZUQYWOLGQTRV-FXAWDEMLSA-N 1 1 379.508 3.547 10 0 GHAEMO Cc1ccc(C(=O)CCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000184034954 883301216 /nfs/dbraw/zinc/30/12/16/883301216.db2.gz MDAMDBLKAKDZBY-SIKLNZKXSA-N 1 1 393.531 3.770 10 0 GHAEMO Cc1ccc(C(=O)CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000184034954 883301232 /nfs/dbraw/zinc/30/12/32/883301232.db2.gz MDAMDBLKAKDZBY-SIKLNZKXSA-N 1 1 393.531 3.770 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)CCCc3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000184175809 883326723 /nfs/dbraw/zinc/32/67/23/883326723.db2.gz AGHKSWVTKLYQHL-MRXNPFEDSA-N 1 1 398.469 3.740 10 0 GHAEMO Cc1nc([C@@H]2CCCN2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cs1 ZINC000186729079 883697258 /nfs/dbraw/zinc/69/72/58/883697258.db2.gz KGADCRBSZIHWDG-SFHVURJKSA-N 1 1 385.537 3.670 10 0 GHAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)cn1 ZINC000103179893 885987081 /nfs/dbraw/zinc/98/70/81/885987081.db2.gz XPFFBZPLXMBKQI-JOCHJYFZSA-N 1 1 398.470 3.560 10 0 GHAEMO COCCCOc1ccccc1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000117002859 886377173 /nfs/dbraw/zinc/37/71/73/886377173.db2.gz CBOQELQJGJKOAR-UHFFFAOYSA-N 1 1 398.507 3.596 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3c[nH]c(=S)n3-c3ccccc3)CC2)[nH+]c1 ZINC000124202071 886717458 /nfs/dbraw/zinc/71/74/58/886717458.db2.gz DVNSJUBUTDRMTI-UHFFFAOYSA-N 1 1 393.516 3.637 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)CCO1 ZINC000124379978 886739188 /nfs/dbraw/zinc/73/91/88/886739188.db2.gz LROHQRSJCCBKIN-OAHLLOKOSA-N 1 1 399.457 3.899 10 0 GHAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000125054626 886823694 /nfs/dbraw/zinc/82/36/94/886823694.db2.gz GYLXTSISSHIODU-KRWDZBQOSA-N 1 1 385.339 3.627 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3ccc(F)cc3C(F)(F)F)CC2)[nH+]c1 ZINC000127405488 887060919 /nfs/dbraw/zinc/06/09/19/887060919.db2.gz FWCFUNQMGMMJJZ-UHFFFAOYSA-N 1 1 381.373 3.947 10 0 GHAEMO CC(C)[C@@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1nc2ccccc2[nH]1 ZINC000127852544 887110986 /nfs/dbraw/zinc/11/09/86/887110986.db2.gz FWHJLVHHENOBJS-HXUWFJFHSA-N 1 1 394.523 3.658 10 0 GHAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCc2nc3ccccc3s2)cn1 ZINC000054626413 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CCC[N@H+]1Cc2cccc(NC(=O)c3cccc(CN4CCCC4=O)c3)c2C1 ZINC000066514757 891122771 /nfs/dbraw/zinc/12/27/71/891122771.db2.gz MDTVGLIADMCOFO-UHFFFAOYSA-N 1 1 377.488 3.787 10 0 GHAEMO Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246584080 891288793 /nfs/dbraw/zinc/28/87/93/891288793.db2.gz JADJWOASCNIDSF-AEFFLSMTSA-N 1 1 382.504 3.828 10 0 GHAEMO Cn1cc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(-c2cccnc2)n1 ZINC000246894954 891322627 /nfs/dbraw/zinc/32/26/27/891322627.db2.gz UEEWBKUAUNBMBS-VQTJNVASSA-N 1 1 380.492 3.943 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1cccc2ccccc21 ZINC000247060883 891339143 /nfs/dbraw/zinc/33/91/43/891339143.db2.gz PDGODOJHFXTMMO-XMSQKQJNSA-N 1 1 389.499 3.640 10 0 GHAEMO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000247054660 891339627 /nfs/dbraw/zinc/33/96/27/891339627.db2.gz WUMCYBPINHNTIO-NVXWUHKLSA-N 1 1 381.480 3.937 10 0 GHAEMO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 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396.531 3.735 10 0 GHAEMO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@H](C(=O)OC)c1ccccc1 ZINC000503990667 533370189 /nfs/dbraw/zinc/37/01/89/533370189.db2.gz OMTBLFCKFVDJFM-HBMCJLEFSA-N 1 1 381.472 3.712 10 0 GHAEMO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@H](C(=O)OC)c1ccccc1 ZINC000503990667 533370190 /nfs/dbraw/zinc/37/01/90/533370190.db2.gz OMTBLFCKFVDJFM-HBMCJLEFSA-N 1 1 381.472 3.712 10 0 GHAEMO CCN1CC2(CCN(c3[nH+]cnc4[nH]ccc43)CC2)C[C@H](c2ccccc2)C1=O ZINC000096165197 535443353 /nfs/dbraw/zinc/44/33/53/535443353.db2.gz GXHZVDSCJLYRJY-LJQANCHMSA-N 1 1 389.503 3.581 10 0 GHAEMO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000036095734 570534911 /nfs/dbraw/zinc/53/49/11/570534911.db2.gz GANATPNSASYWJI-FQEVSTJZSA-N 1 1 381.472 3.903 10 0 GHAEMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc(C)cs3)CC2)c(OC)c1 ZINC000156677492 834498688 /nfs/dbraw/zinc/49/86/88/834498688.db2.gz JAOXRXXVFLADSL-CQSZACIVSA-N 1 1 389.521 3.675 10 0 GHAEMO 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ZZGYEJHAUADZAU-PBHICJAKSA-N 1 1 375.419 3.744 10 0 GHAEMO Fc1ccc(C2(c3nc([C@@H]4C[N@H+]5CCC[C@@H]5CO4)no3)CCCC2)c(F)c1 ZINC000329748451 835861114 /nfs/dbraw/zinc/86/11/14/835861114.db2.gz ZZGYEJHAUADZAU-PBHICJAKSA-N 1 1 375.419 3.744 10 0 GHAEMO Cc1cc([C@H]2CCCN(C(=O)NC[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)[nH]n1 ZINC000332743424 836531307 /nfs/dbraw/zinc/53/13/07/836531307.db2.gz ORIBHZQLZVYCFC-SFTDATJTSA-N 1 1 395.551 3.662 10 0 GHAEMO Cc1cc([C@H]2CCCN(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)n[nH]1 ZINC000332743424 836531315 /nfs/dbraw/zinc/53/13/15/836531315.db2.gz ORIBHZQLZVYCFC-SFTDATJTSA-N 1 1 395.551 3.662 10 0 GHAEMO Cc1cc([C@H]2CCCN(C(=O)NC[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)n[nH]1 ZINC000332743424 836531317 /nfs/dbraw/zinc/53/13/17/836531317.db2.gz ORIBHZQLZVYCFC-SFTDATJTSA-N 1 1 395.551 3.662 10 0 GHAEMO COCCCOc1cccc(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000177137169 837930990 /nfs/dbraw/zinc/93/09/90/837930990.db2.gz IWOJAXZCTNWSRC-UHFFFAOYSA-N 1 1 398.507 3.596 10 0 GHAEMO 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CC(C)c1nn(C)c2sc(-c3nc([C@@H]4C[N@H+]5CCC[C@]5(C)CO4)no3)cc12 ZINC000329569981 861675261 /nfs/dbraw/zinc/67/52/61/861675261.db2.gz INWBRVCDVJLJMH-ORAYPTAESA-N 1 1 387.509 3.734 10 0 GHAEMO Clc1ccc([C@@H]2OCC[C@H]2c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000333630763 847584569 /nfs/dbraw/zinc/58/45/69/847584569.db2.gz GNNYJRQXSIAOMH-HZMVEIRTSA-N 1 1 375.856 3.504 10 0 GHAEMO Clc1ccc([C@@H]2OCC[C@H]2c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000333630763 847584582 /nfs/dbraw/zinc/58/45/82/847584582.db2.gz GNNYJRQXSIAOMH-HZMVEIRTSA-N 1 1 375.856 3.504 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000153727344 848957698 /nfs/dbraw/zinc/95/76/98/848957698.db2.gz ILBZWRGMZVSZGD-CTNGQTDRSA-N 1 1 396.535 3.552 10 0 GHAEMO Cc1cccc2nc(CCC(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)[nH]c21 ZINC000155693556 849603825 /nfs/dbraw/zinc/60/38/25/849603825.db2.gz IVZLVBHPYCDJOA-QGZVFWFLSA-N 1 1 391.519 3.541 10 0 GHAEMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(Br)ccc3F)n1)OC2 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873369485 /nfs/dbraw/zinc/36/94/85/873369485.db2.gz APQJCUXXIPQCLE-UZLBHIALSA-N 1 1 383.923 3.793 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000116568011 873567566 /nfs/dbraw/zinc/56/75/66/873567566.db2.gz WLHPLKYXKAINBX-GCJKJVERSA-N 1 1 378.520 3.666 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)[nH+]1 ZINC000116938774 873794236 /nfs/dbraw/zinc/79/42/36/873794236.db2.gz DVUJCUGJFAEZSL-GOEBONIOSA-N 1 1 384.446 3.779 10 0 GHAEMO COc1ccc([C@H]2CCN(C(=O)NC3CCN(c4cccc(C)[nH+]4)CC3)C2)cc1 ZINC000116970300 873799677 /nfs/dbraw/zinc/79/96/77/873799677.db2.gz PERPZICEHGHOPD-IBGZPJMESA-N 1 1 394.519 3.567 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N3CC=C(c4ccc(O)cc4)CC3)CC2)[nH+]1 ZINC000116970574 873800170 /nfs/dbraw/zinc/80/01/70/873800170.db2.gz VJCRVVYCFAOCOV-UHFFFAOYSA-N 1 1 392.503 3.563 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Nc3ccccc3N3CCCC3)CC2)[nH+]1 ZINC000116998108 873803469 /nfs/dbraw/zinc/80/34/69/873803469.db2.gz MNRWPFRJKYNVIE-UHFFFAOYSA-N 1 1 379.508 3.781 10 0 GHAEMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)CCO1 ZINC000177117533 882762689 /nfs/dbraw/zinc/76/26/89/882762689.db2.gz SKDPZTDLAYHRLP-CQSZACIVSA-N 1 1 388.895 3.524 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)CCO1 ZINC000177117533 882762703 /nfs/dbraw/zinc/76/27/03/882762703.db2.gz SKDPZTDLAYHRLP-CQSZACIVSA-N 1 1 388.895 3.524 10 0 GHAEMO CCC(=O)Nc1ccc(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000117001271 873846816 /nfs/dbraw/zinc/84/68/16/873846816.db2.gz GNPZWFVOPSQPGE-UHFFFAOYSA-N 1 1 381.480 3.529 10 0 GHAEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000177310931 882819123 /nfs/dbraw/zinc/81/91/23/882819123.db2.gz ZBHFPGUGSYYDQK-OLZOCXBDSA-N 1 1 389.849 3.856 10 0 GHAEMO CCC(CC)[C@H]1C[C@H](NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCO1 ZINC000181133078 883148981 /nfs/dbraw/zinc/14/89/81/883148981.db2.gz ROGVSATZMNHENQ-WOJBJXKFSA-N 1 1 388.556 3.642 10 0 GHAEMO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183490550 883267364 /nfs/dbraw/zinc/26/73/64/883267364.db2.gz DJTUPSCQXWOIIT-QUCCMNQESA-N 1 1 385.533 3.865 10 0 GHAEMO Cc1c([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000186652387 883682281 /nfs/dbraw/zinc/68/22/81/883682281.db2.gz AUXOFEIIYPREME-IVZQSRNASA-N 1 1 390.466 3.889 10 0 GHAEMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccncc2OC)cc1 ZINC000187060977 883734541 /nfs/dbraw/zinc/73/45/41/883734541.db2.gz JOJZNOXCVMZELV-OXJNMPFZSA-N 1 1 383.492 3.503 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000106165784 886027063 /nfs/dbraw/zinc/02/70/63/886027063.db2.gz VNLIKWWSDMEUEQ-UHFFFAOYSA-N 1 1 381.307 3.620 10 0 GHAEMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCC[C@H](c2nccs2)C1 ZINC000114829194 886330713 /nfs/dbraw/zinc/33/07/13/886330713.db2.gz AFXVLFFGQXRNFP-UXHICEINSA-N 1 1 398.576 3.597 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3ccc(Br)cc3F)CC2)[nH+]1 ZINC000116669540 886369759 /nfs/dbraw/zinc/36/97/59/886369759.db2.gz MFQJRLNHEKHHJX-UHFFFAOYSA-N 1 1 392.272 3.690 10 0 GHAEMO Fc1cc(-c2noc(C[NH2+][C@H]3CCCC[C@H]3n3cccn3)n2)cc(F)c1F ZINC000127922722 887123327 /nfs/dbraw/zinc/12/33/27/887123327.db2.gz HJXDDOQNAWMDMP-LSDHHAIUSA-N 1 1 377.370 3.624 10 0 GHAEMO CC(C)Cn1cc(C(F)F)c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000193818475 888530350 /nfs/dbraw/zinc/53/03/50/888530350.db2.gz SMFCGTXAIQPXKR-QGZVFWFLSA-N 1 1 390.478 3.729 10 0 GHAEMO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195342752 888681642 /nfs/dbraw/zinc/68/16/42/888681642.db2.gz BWRTUHYZOKYMOV-RDJZCZTQSA-N 1 1 382.533 3.551 10 0 GHAEMO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195342752 888681648 /nfs/dbraw/zinc/68/16/48/888681648.db2.gz BWRTUHYZOKYMOV-RDJZCZTQSA-N 1 1 382.533 3.551 10 0 GHAEMO CCn1cnnc1-c1cccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245558971 888940846 /nfs/dbraw/zinc/94/08/46/888940846.db2.gz HPIODDJDLQSTDC-UTKZUKDTSA-N 1 1 376.508 3.683 10 0 GHAEMO 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ZINC000128926365 887241948 /nfs/dbraw/zinc/24/19/48/887241948.db2.gz WDCNUYJSGONCLF-HNNXBMFYSA-N 1 1 398.482 3.688 10 0 GHAEMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccnc1 ZINC000245643445 889146340 /nfs/dbraw/zinc/14/63/40/889146340.db2.gz ARXOLDXQLOCPNI-AXHNFQJDSA-N 1 1 375.875 3.787 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000245708356 889358562 /nfs/dbraw/zinc/35/85/62/889358562.db2.gz SHTZUFPJURBSJI-KPZWWZAWSA-N 1 1 379.838 3.654 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc(O)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245736029 889567975 /nfs/dbraw/zinc/56/79/75/889567975.db2.gz UTELNCOXDUQUMN-FOIQADDNSA-N 1 1 376.859 3.536 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)CCc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245758976 889657907 /nfs/dbraw/zinc/65/79/07/889657907.db2.gz YWKCNDUGRGXVHM-OXQOHEQNSA-N 1 1 375.875 3.616 10 0 GHAEMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]2N1C1CC1 ZINC000245763760 889667618 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380.492 3.943 10 0 GHAEMO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000247015900 891333429 /nfs/dbraw/zinc/33/34/29/891333429.db2.gz LWICMELKVCSKLH-RTBURBONSA-N 1 1 386.517 3.867 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000247054202 891339345 /nfs/dbraw/zinc/33/93/45/891339345.db2.gz UNLCLHDIFWIHGP-FZKQIMNGSA-N 1 1 395.400 3.880 10 0 GHAEMO Cc1nnc(-c2ccccc2C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000247072346 891341312 /nfs/dbraw/zinc/34/13/12/891341312.db2.gz QFWYQKDXULPXMX-AEFFLSMTSA-N 1 1 382.508 3.772 10 0 GHAEMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000247072488 891341387 /nfs/dbraw/zinc/34/13/87/891341387.db2.gz YMWKTYHPRWTTLJ-KNQAVFIVSA-N 1 1 392.499 3.659 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000246932860 891346340 /nfs/dbraw/zinc/34/63/40/891346340.db2.gz ZNCGZVRAVJKTGT-OPAMFIHVSA-N 1 1 392.478 3.856 10 0 GHAEMO COc1cccc([C@H](C)CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000246930702 891346907 /nfs/dbraw/zinc/34/69/07/891346907.db2.gz MOLPOBXGEPOBDS-KGVIQGDOSA-N 1 1 381.520 3.611 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000247449887 891377455 /nfs/dbraw/zinc/37/74/55/891377455.db2.gz OVCQVIBCVGYKIO-SPTRTZJMSA-N 1 1 389.543 3.702 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3NC(=O)c3cccs3)CC[C@H]21 ZINC000248129111 891410444 /nfs/dbraw/zinc/41/04/44/891410444.db2.gz OGJRRGQYKIANJW-CRAIPNDOSA-N 1 1 383.517 3.557 10 0 GHAEMO c1ccc(C[N@@H+]2CCC[C@H]3CN(Cc4nnc(C5CC5)n4C4CC4)CC[C@H]32)cc1 ZINC000248385261 891422508 /nfs/dbraw/zinc/42/25/08/891422508.db2.gz HSDXXLVLGKCQHT-RBBKRZOGSA-N 1 1 391.563 3.977 10 0 GHAEMO COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248570955 891430965 /nfs/dbraw/zinc/43/09/65/891430965.db2.gz MABXSHSXSJMSRK-LEDOBFOHSA-N 1 1 399.579 3.601 10 0 GHAEMO O=C1O[C@@H](C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)CC12CCC2 ZINC000248812055 891471343 /nfs/dbraw/zinc/47/13/43/891471343.db2.gz CUPYIWGOGVWHSC-NVXWUHKLSA-N 1 1 385.439 3.541 10 0 GHAEMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cn(C)c2ccccc12 ZINC000249291356 891511806 /nfs/dbraw/zinc/51/18/06/891511806.db2.gz KWXMLZITHQCSMS-NPPFBWRTSA-N 1 1 390.531 3.704 10 0 GHAEMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249926385 891531870 /nfs/dbraw/zinc/53/18/70/891531870.db2.gz ZZMAKYKYYNJZJG-DLBZAZTESA-N 1 1 384.549 3.950 10 0 GHAEMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249926385 891531879 /nfs/dbraw/zinc/53/18/79/891531879.db2.gz ZZMAKYKYYNJZJG-DLBZAZTESA-N 1 1 384.549 3.950 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(Cl)cc1F ZINC000252032052 891668619 /nfs/dbraw/zinc/66/86/19/891668619.db2.gz ZQWKYNINHLHUHY-IFXJQAMLSA-N 1 1 390.890 3.584 10 0 GHAEMO C[C@@H](CN1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1)c1ccccc1 ZINC000019220909 210230811 /nfs/dbraw/zinc/23/08/11/210230811.db2.gz JWKPVHZPAQTHFI-FQEVSTJZSA-N 1 1 383.580 3.589 10 0 GHAEMO C[C@@H](C[NH+]1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1)c1ccccc1 ZINC000019220909 210230816 /nfs/dbraw/zinc/23/08/16/210230816.db2.gz JWKPVHZPAQTHFI-FQEVSTJZSA-N 1 1 383.580 3.589 10 0 GHAEMO COc1cccc(CN2CCC[C@@]3(CC[N@H+](C4CCSCC4)C3)C2)c1OC ZINC000014974948 210139069 /nfs/dbraw/zinc/13/90/69/210139069.db2.gz LIFWEMFSBOPOAB-JOCHJYFZSA-N 1 1 390.593 3.887 10 0 GHAEMO COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1OC ZINC000004214580 209231552 /nfs/dbraw/zinc/23/15/52/209231552.db2.gz PCIWCYUKRZFCMF-YQQQUEKLSA-N 1 1 380.488 3.629 10 0 in-vitro GHAEMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cc(C)c(C)o3)C2)CC1 ZINC000020534281 210346924 /nfs/dbraw/zinc/34/69/24/210346924.db2.gz DHFXSQANPLSCRA-HXUWFJFHSA-N 1 1 383.536 3.692 10 0 GHAEMO CC(C)Cc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)[C@@H](C)c3ccncn3)cc2)n1 ZINC000023505449 519427934 /nfs/dbraw/zinc/42/79/34/519427934.db2.gz APBASJGSZVCKOT-INIZCTEOSA-N 1 1 377.492 3.618 10 0 GHAEMO CC(C)Cc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)[C@@H](C)c3ccncn3)cc2)n1 ZINC000023505449 519427939 /nfs/dbraw/zinc/42/79/39/519427939.db2.gz APBASJGSZVCKOT-INIZCTEOSA-N 1 1 377.492 3.618 10 0 GHAEMO CCc1cc(OC)c(OC)cc1[C@@H]1CC2(OCCO2)[C@H]2CCCC[C@@H]2[N@H+]1C ZINC000048524030 570250874 /nfs/dbraw/zinc/25/08/74/570250874.db2.gz NDHIZGXRKXDSMH-FHWLQOOXSA-N 1 1 375.509 3.945 10 0 GHAEMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103165 570540327 /nfs/dbraw/zinc/54/03/27/570540327.db2.gz NSHRNLZJVUZSOW-SFHVURJKSA-N 1 1 389.467 3.733 10 0 GHAEMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103165 570540329 /nfs/dbraw/zinc/54/03/29/570540329.db2.gz NSHRNLZJVUZSOW-SFHVURJKSA-N 1 1 389.467 3.733 10 0 GHAEMO COc1cc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c(OC)cc1Cl ZINC000156645119 834484618 /nfs/dbraw/zinc/48/46/18/834484618.db2.gz KSFDTOVNNLMMTJ-UHFFFAOYSA-N 1 1 392.887 3.577 10 0 GHAEMO COc1ccccc1C[C@@H](C)CC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000157878652 835125792 /nfs/dbraw/zinc/12/57/92/835125792.db2.gz IXELHKJVSWLWEF-GOSISDBHSA-N 1 1 381.520 3.753 10 0 GHAEMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(F)cc(Br)c3)n1)OC2 ZINC000329619550 835435816 /nfs/dbraw/zinc/43/58/16/835435816.db2.gz TYLBXVVDGHMBDY-BBRMVZONSA-N 1 1 382.233 3.564 10 0 GHAEMO Cc1cc(Br)cc(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329654256 835538711 /nfs/dbraw/zinc/53/87/11/835538711.db2.gz FFUXWYBNXJEPDH-PBHICJAKSA-N 1 1 378.270 3.733 10 0 GHAEMO CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000332885523 836860988 /nfs/dbraw/zinc/86/09/88/836860988.db2.gz PPCQWFVWOGSGJT-SESVDKBCSA-N 1 1 395.551 3.628 10 0 GHAEMO CCc1nc(C[NH+]2CCC(CNC(=O)[C@]3(C)CC3(Cl)Cl)CC2)cs1 ZINC000111043808 840611366 /nfs/dbraw/zinc/61/13/66/840611366.db2.gz SZJACIXQTOHKEK-INIZCTEOSA-N 1 1 390.380 3.618 10 0 GHAEMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408133307 841084585 /nfs/dbraw/zinc/08/45/85/841084585.db2.gz OEZDJOZHKPJNFT-SELNLUPBSA-N 1 1 385.552 3.647 10 0 GHAEMO O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000246487854 841742799 /nfs/dbraw/zinc/74/27/99/841742799.db2.gz RYMJOXWZUMWMON-IAGOWNOFSA-N 1 1 393.915 3.600 10 0 GHAEMO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000328959197 843199852 /nfs/dbraw/zinc/19/98/52/843199852.db2.gz OWWYDQMSODKPPE-YADHBBJMSA-N 1 1 396.535 3.710 10 0 GHAEMO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000328959197 843199857 /nfs/dbraw/zinc/19/98/57/843199857.db2.gz OWWYDQMSODKPPE-YADHBBJMSA-N 1 1 396.535 3.710 10 0 GHAEMO Cc1cc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)ccc1Br ZINC000329615605 861778891 /nfs/dbraw/zinc/77/88/91/861778891.db2.gz SFSBPHCLJJLGMY-RHSMWYFYSA-N 1 1 378.270 3.733 10 0 GHAEMO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1NC(=O)Nc1ccccc1 ZINC000133619466 858814058 /nfs/dbraw/zinc/81/40/58/858814058.db2.gz NQTKDPSZHXTLOK-PXNSSMCTSA-N 1 1 392.503 3.948 10 0 GHAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000252443915 860483305 /nfs/dbraw/zinc/48/33/05/860483305.db2.gz QJOOJENKZRNEGC-UZLBHIALSA-N 1 1 378.476 3.639 10 0 GHAEMO COCc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nc(C(C)(C)C)n1 ZINC000301775776 865532179 /nfs/dbraw/zinc/53/21/79/865532179.db2.gz GMNLXYIDJRHEFR-APWZRJJASA-N 1 1 383.540 3.638 10 0 GHAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)c3ccccc3Cl)CC2)cn1 ZINC000112713964 866738407 /nfs/dbraw/zinc/73/84/07/866738407.db2.gz DKTJGILGRXWWGY-INIZCTEOSA-N 1 1 389.931 3.535 10 0 GHAEMO CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H](C)c3ccccc3Cl)CC2)cn1 ZINC000112713964 866738412 /nfs/dbraw/zinc/73/84/12/866738412.db2.gz DKTJGILGRXWWGY-INIZCTEOSA-N 1 1 389.931 3.535 10 0 GHAEMO C[C@@H]1CCc2c(sc3nc(C[N@@H+]4CC[C@]5(O)CCCC[C@@H]5C4)nc(N)c23)C1 ZINC000180547087 867412718 /nfs/dbraw/zinc/41/27/18/867412718.db2.gz RESGSHDMCVBQNQ-ZMOMAAQPSA-N 1 1 386.565 3.525 10 0 GHAEMO C[C@@H]1CCc2c(sc3nc(C[N@H+]4CC[C@]5(O)CCCC[C@@H]5C4)nc(N)c23)C1 ZINC000180547087 867412728 /nfs/dbraw/zinc/41/27/28/867412728.db2.gz RESGSHDMCVBQNQ-ZMOMAAQPSA-N 1 1 386.565 3.525 10 0 GHAEMO CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091949437 882223561 /nfs/dbraw/zinc/22/35/61/882223561.db2.gz MGVYXYFIGVENRD-HNNXBMFYSA-N 1 1 380.964 3.667 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)CCO1 ZINC000173653598 882390073 /nfs/dbraw/zinc/39/00/73/882390073.db2.gz HDRDSAVFPLRZKM-CQSZACIVSA-N 1 1 385.430 3.508 10 0 GHAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)cc1F ZINC000114826023 870752447 /nfs/dbraw/zinc/75/24/47/870752447.db2.gz OCVOOFPXOCOTLD-INIZCTEOSA-N 1 1 399.495 3.866 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccccc3CC(F)(F)F)CC2)CCO1 ZINC000174004326 882448121 /nfs/dbraw/zinc/44/81/21/882448121.db2.gz PBDLNZAUIBIDDV-CQSZACIVSA-N 1 1 385.430 3.508 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)CC2)[nH+]c1 ZINC000174587489 882483873 /nfs/dbraw/zinc/48/38/73/882483873.db2.gz PKMWNVWYUVCOBI-IRLDBZIGSA-N 1 1 394.519 3.578 10 0 GHAEMO CCOc1cc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)ccc1OC ZINC000175227629 882559607 /nfs/dbraw/zinc/55/96/07/882559607.db2.gz RVKIEHONLQBEAC-UHFFFAOYSA-N 1 1 384.480 3.588 10 0 GHAEMO Cc1nc2c(s1)[C@H](N(C)C(=O)NC1CCN(c3ccc(C)c[nH+]3)CC1)CCC2 ZINC000175282571 882564688 /nfs/dbraw/zinc/56/46/88/882564688.db2.gz DILHSLSVLKYQJK-GOSISDBHSA-N 1 1 399.564 3.843 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)NCc3nc(C(C)(C)C)cs3)CC2)[nH+]c1 ZINC000176481865 882696897 /nfs/dbraw/zinc/69/68/97/882696897.db2.gz SXXZCTUMYFHPKG-UHFFFAOYSA-N 1 1 387.553 3.612 10 0 GHAEMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC(C)C ZINC000116245336 873366517 /nfs/dbraw/zinc/36/65/17/873366517.db2.gz OQQTVWRVQSSDDV-PXNSSMCTSA-N 1 1 397.519 3.518 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000116247495 873367609 /nfs/dbraw/zinc/36/76/09/873367609.db2.gz HPNQAPFSDCGBMV-TWHAJKEOSA-N 1 1 393.531 3.576 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1 ZINC000116252294 873371291 /nfs/dbraw/zinc/37/12/91/873371291.db2.gz FCHZHQMUBJKETQ-JXFKEZNVSA-N 1 1 387.911 3.531 10 0 GHAEMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000102695585 873463272 /nfs/dbraw/zinc/46/32/72/873463272.db2.gz SWFQKHADWRGMAS-MRXNPFEDSA-N 1 1 383.492 3.593 10 0 GHAEMO CCOc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC ZINC000116487206 873514547 /nfs/dbraw/zinc/51/45/47/873514547.db2.gz CUKCHMPVYCRYST-LPHOPBHVSA-N 1 1 398.507 3.521 10 0 GHAEMO Cc1cc(C(=O)CCC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c(C)s1 ZINC000116836646 873726688 /nfs/dbraw/zinc/72/66/88/873726688.db2.gz UUPGFVSWOYHOLI-UHFFFAOYSA-N 1 1 385.533 3.816 10 0 GHAEMO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000178542729 882902115 /nfs/dbraw/zinc/90/21/15/882902115.db2.gz BWJXHWVZSWNBCZ-UHFFFAOYSA-N 1 1 382.291 3.830 10 0 GHAEMO C[N@H+](Cc1ccc(Cl)nc1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604348 875346491 /nfs/dbraw/zinc/34/64/91/875346491.db2.gz NUHDEVJCBVJRQQ-UHFFFAOYSA-N 1 1 392.684 3.902 10 0 GHAEMO C[C@@H](NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000180381577 883054096 /nfs/dbraw/zinc/05/40/96/883054096.db2.gz YDDVQQSTGFZGFO-AUSIDOKSSA-N 1 1 394.563 3.712 10 0 GHAEMO Cc1cc(OC(F)F)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000116248217 886357938 /nfs/dbraw/zinc/35/79/38/886357938.db2.gz INANIOBPDVVWBD-WFASDCNBSA-N 1 1 395.475 3.693 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000116252479 886358059 /nfs/dbraw/zinc/35/80/59/886358059.db2.gz VVEBXVJECJZLPL-UTKZUKDTSA-N 1 1 381.495 3.669 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(Cl)c1F ZINC000116478227 886363050 /nfs/dbraw/zinc/36/30/50/886363050.db2.gz DNBPGSRCMVXHBQ-BBRMVZONSA-N 1 1 376.863 3.906 10 0 GHAEMO CC(C)Cn1cc(C(F)F)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000120560883 886525702 /nfs/dbraw/zinc/52/57/02/886525702.db2.gz UXZJXQFGGYUFBC-PBHICJAKSA-N 1 1 380.483 3.566 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CC2)[nH+]c1 ZINC000124802530 886798971 /nfs/dbraw/zinc/79/89/71/886798971.db2.gz WFEIOAKUGQVCMM-RTWAWAEBSA-N 1 1 394.519 3.578 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)CC2)CCO1 ZINC000126957251 887018220 /nfs/dbraw/zinc/01/82/20/887018220.db2.gz FTPSYAVBSAQNOF-GFCCVEGCSA-N 1 1 390.833 3.684 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000128020324 887136451 /nfs/dbraw/zinc/13/64/51/887136451.db2.gz IZUNBLUDYLZHBK-JLSDUUJJSA-N 1 1 398.473 3.712 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000134364017 887863938 /nfs/dbraw/zinc/86/39/38/887863938.db2.gz SSWLNQVVEKDDRC-UGKGYDQZSA-N 1 1 377.532 3.821 10 0 GHAEMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(C)c1 ZINC000052685428 887871841 /nfs/dbraw/zinc/87/18/41/887871841.db2.gz KGZQBAGQVGGTEE-LJQANCHMSA-N 1 1 385.552 3.745 10 0 GHAEMO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C3CC3)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245682403 889216714 /nfs/dbraw/zinc/21/67/14/889216714.db2.gz KGURHUZEXUZABU-SCLBCKFNSA-N 1 1 377.847 3.767 10 0 GHAEMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(C3CC3)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245682403 889216724 /nfs/dbraw/zinc/21/67/24/889216724.db2.gz KGURHUZEXUZABU-SCLBCKFNSA-N 1 1 377.847 3.767 10 0 GHAEMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000245722862 889453859 /nfs/dbraw/zinc/45/38/59/889453859.db2.gz DNBJDKSMWUVWDO-PMACEKPBSA-N 1 1 397.519 3.845 10 0 GHAEMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000245722862 889453871 /nfs/dbraw/zinc/45/38/71/889453871.db2.gz DNBJDKSMWUVWDO-PMACEKPBSA-N 1 1 397.519 3.845 10 0 GHAEMO CCc1nc(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000245728065 889514753 /nfs/dbraw/zinc/51/47/53/889514753.db2.gz SLXAIELAPNDMKQ-DJJJIMSYSA-N 1 1 395.931 3.850 10 0 GHAEMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](c4nccs4)C3)CC2)cs1 ZINC000068355298 891176845 /nfs/dbraw/zinc/17/68/45/891176845.db2.gz QPOXTPKEFXGVBD-MRXNPFEDSA-N 1 1 390.578 3.526 10 0 GHAEMO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246571536 891286996 /nfs/dbraw/zinc/28/69/96/891286996.db2.gz LDIGLPDGUVSHNC-PZJWPPBQSA-N 1 1 394.471 3.891 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccccc1OC(F)F ZINC000247000549 891330265 /nfs/dbraw/zinc/33/02/65/891330265.db2.gz LUVKURUITHQFFM-GDBMZVCRSA-N 1 1 390.434 3.715 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCC(C)(C)c1cccs1 ZINC000247032722 891334318 /nfs/dbraw/zinc/33/43/18/891334318.db2.gz NOYMMNNMNVGVON-FUHWJXTLSA-N 1 1 386.565 3.631 10 0 GHAEMO CCOc1ccc2cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)[nH]c2c1 ZINC000247334182 891368446 /nfs/dbraw/zinc/36/84/46/891368446.db2.gz YMURWZUGDHSWSG-UZLBHIALSA-N 1 1 392.503 3.602 10 0 GHAEMO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247963140 891401828 /nfs/dbraw/zinc/40/18/28/891401828.db2.gz DDNNCWIQUZUSBF-FIXSFTCYSA-N 1 1 389.499 3.512 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)CC[C@H]21 ZINC000248142532 891412452 /nfs/dbraw/zinc/41/24/52/891412452.db2.gz PVAZVBQDPGTGBW-FUHWJXTLSA-N 1 1 381.480 3.562 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(-c4ccncc4)nc4ccccc43)CC[C@H]21 ZINC000248169574 891414095 /nfs/dbraw/zinc/41/40/95/891414095.db2.gz UMKQZTXTZJCBIJ-WZONZLPQSA-N 1 1 386.499 3.853 10 0 GHAEMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cc2ccccc2o1 ZINC000248327727 891419245 /nfs/dbraw/zinc/41/92/45/891419245.db2.gz CNIVDKKWUOYOSR-ABSDTBQOSA-N 1 1 377.488 3.958 10 0 GHAEMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)N1CCc2ccccc2C1 ZINC000249409885 891506440 /nfs/dbraw/zinc/50/64/40/891506440.db2.gz VCMPRPURITYASY-WOJBJXKFSA-N 1 1 384.545 3.611 10 0 GHAEMO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000333717934 902289194 /nfs/dbraw/zinc/28/91/94/902289194.db2.gz UBBCQINMQLLSHQ-QFBILLFUSA-N 1 1 379.426 3.976 10 0 GHAEMO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000333717936 902289481 /nfs/dbraw/zinc/28/94/81/902289481.db2.gz UBBCQINMQLLSHQ-VQIMIIECSA-N 1 1 379.426 3.976 10 0 GHAEMO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1C1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000098091972 212076334 /nfs/dbraw/zinc/07/63/34/212076334.db2.gz MJIVTEQYUJILHQ-FDDCHVKYSA-N 1 1 385.463 3.567 10 0 GHAEMO COC(=O)[C@H]1C[C@H](O)C[N@H+]1C1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000098091972 212076336 /nfs/dbraw/zinc/07/63/36/212076336.db2.gz MJIVTEQYUJILHQ-FDDCHVKYSA-N 1 1 385.463 3.567 10 0 GHAEMO COc1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3[C@@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]12 ZINC000095801870 211281775 /nfs/dbraw/zinc/28/17/75/211281775.db2.gz YRWVTQHOXFHJIY-UKBILQQUSA-N 1 1 382.460 3.535 10 0 GHAEMO COc1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3[C@@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]12 ZINC000095801870 211281777 /nfs/dbraw/zinc/28/17/77/211281777.db2.gz YRWVTQHOXFHJIY-UKBILQQUSA-N 1 1 382.460 3.535 10 0 GHAEMO CN1CCN2c3c(cccc31)[C@H]1C[N@H+](CCCC(=O)c3ccc(F)cc3)CC[C@H]12 ZINC000143595671 136192986 /nfs/dbraw/zinc/19/29/86/136192986.db2.gz HOIIHACBCFLJET-NHCUHLMSSA-N 1 1 393.506 3.917 10 0 investigational GHAEMO O=C(NC[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1)c1ccco1 ZINC000011955693 570450702 /nfs/dbraw/zinc/45/07/02/570450702.db2.gz CCSQFQXJWWVSOF-KRWDZBQOSA-N 1 1 387.549 3.579 10 0 GHAEMO Cc1ccc(Oc2ccccc2NC(=O)C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000156589439 834444536 /nfs/dbraw/zinc/44/45/36/834444536.db2.gz RXGWKNIMXBIITN-UHFFFAOYSA-N 1 1 391.475 3.654 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)c3cccnc3SC(F)(F)F)CC2)[nH+]c1 ZINC000157755684 835075536 /nfs/dbraw/zinc/07/55/36/835075536.db2.gz NJRBODVACUCAJI-UHFFFAOYSA-N 1 1 396.438 3.796 10 0 GHAEMO CCc1nnc(-c2ccc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc2)o1 ZINC000158345110 835327631 /nfs/dbraw/zinc/32/76/31/835327631.db2.gz PQBPFYXJAFHLRG-UHFFFAOYSA-N 1 1 394.479 3.519 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 ZINC000158459061 835381802 /nfs/dbraw/zinc/38/18/02/835381802.db2.gz IAYFBODZGOMKDV-UHFFFAOYSA-N 1 1 386.471 3.977 10 0 GHAEMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccncc1 ZINC000158801525 835551769 /nfs/dbraw/zinc/55/17/69/835551769.db2.gz LOPHPGFSFISALS-BWAGFHJFSA-N 1 1 378.520 3.839 10 0 GHAEMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000332680032 836457065 /nfs/dbraw/zinc/45/70/65/836457065.db2.gz GSFAYGCFXNHSMR-NLWGTHIKSA-N 1 1 380.536 3.665 10 0 GHAEMO Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C2)c1 ZINC000106222896 840805432 /nfs/dbraw/zinc/80/54/32/840805432.db2.gz KFHOWTNDXBGCJD-SFHVURJKSA-N 1 1 396.491 3.509 10 0 GHAEMO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C2)c1 ZINC000106222896 840805443 /nfs/dbraw/zinc/80/54/43/840805443.db2.gz KFHOWTNDXBGCJD-SFHVURJKSA-N 1 1 396.491 3.509 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)CC1 ZINC000162540954 843271066 /nfs/dbraw/zinc/27/10/66/843271066.db2.gz JTZBYZUEFHRBGI-UHFFFAOYSA-N 1 1 388.418 3.598 10 0 GHAEMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C\c1ncccc1C ZINC000588455819 843359023 /nfs/dbraw/zinc/35/90/23/843359023.db2.gz IYTYPYSOANZYMH-GHYICZDASA-N 1 1 379.504 3.622 10 0 GHAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)CCCc3csc4ccccc34)C2)CC1 ZINC000150982174 845092009 /nfs/dbraw/zinc/09/20/09/845092009.db2.gz NPSATTFQNJPZLW-FQEVSTJZSA-N 1 1 399.604 3.853 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)[nH+]c1 ZINC000152161155 846319697 /nfs/dbraw/zinc/31/96/97/846319697.db2.gz INULXYXPYVGRSG-UHFFFAOYSA-N 1 1 377.448 3.836 10 0 GHAEMO O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000333579745 847718237 /nfs/dbraw/zinc/71/82/37/847718237.db2.gz VNNKSJQWWBBTDO-ZHRMCQFGSA-N 1 1 391.515 3.583 10 0 GHAEMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(Br)c3F)n1)OC2 ZINC000329668069 861978394 /nfs/dbraw/zinc/97/83/94/861978394.db2.gz LQSPTMHWDXOFDT-WBMJQRKESA-N 1 1 382.233 3.564 10 0 GHAEMO Cc1coc(-c2cc(NC(=O)N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)ccc2C)n1 ZINC000154081137 849182769 /nfs/dbraw/zinc/18/27/69/849182769.db2.gz GHUZDIGLJNPUOC-QGZVFWFLSA-N 1 1 398.507 3.675 10 0 GHAEMO Cc1nn2c(C[N@H+]3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)c(C(C)C)nc2s1 ZINC000329841354 862365322 /nfs/dbraw/zinc/36/53/22/862365322.db2.gz OMOAOTPRQNXVDS-SCNOPHJPSA-N 1 1 376.570 3.984 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccnc(N[C@H]3CCCO[C@@H]3C(C)C)n2)C1 ZINC000330126023 862596153 /nfs/dbraw/zinc/59/61/53/862596153.db2.gz IPAWIQBCHWPIQZ-LVCYWYKZSA-N 1 1 398.555 3.693 10 0 GHAEMO CCc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1C ZINC000330333779 862975953 /nfs/dbraw/zinc/97/59/53/862975953.db2.gz QCQVLATWGUMJHK-GHTZIAJQSA-N 1 1 383.540 3.838 10 0 GHAEMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171461001 860425693 /nfs/dbraw/zinc/42/56/93/860425693.db2.gz HUAHNARCYDBBFR-PGRDOPGGSA-N 1 1 395.551 3.841 10 0 GHAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CCCC3)CC2)cn1 ZINC000172139625 860432523 /nfs/dbraw/zinc/43/25/23/860432523.db2.gz QRBYPIVYOCGIBE-QFIPXVFZSA-N 1 1 395.551 3.569 10 0 GHAEMO Cn1cc(C[N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CCCC3)CC2)cn1 ZINC000172139625 860432526 /nfs/dbraw/zinc/43/25/26/860432526.db2.gz QRBYPIVYOCGIBE-QFIPXVFZSA-N 1 1 395.551 3.569 10 0 GHAEMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000102695625 860819531 /nfs/dbraw/zinc/81/95/31/860819531.db2.gz KGJKLLLTYNMVJH-CYBMUJFWSA-N 1 1 392.883 3.964 10 0 GHAEMO C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1Br ZINC000102683967 860837966 /nfs/dbraw/zinc/83/79/66/860837966.db2.gz MOCNVDSOKUWEJV-SUMWQHHRSA-N 1 1 389.293 3.740 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)CC2)[nH+]c1 ZINC000173173413 882338210 /nfs/dbraw/zinc/33/82/10/882338210.db2.gz KBYNQGIQENZHSD-MRXNPFEDSA-N 1 1 383.467 3.523 10 0 GHAEMO CCc1ccc(C(=O)CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116243860 873367047 /nfs/dbraw/zinc/36/70/47/873367047.db2.gz FMQPJXYDKYVIRF-PGRDOPGGSA-N 1 1 393.531 3.634 10 0 GHAEMO CCc1ccc(C(=O)CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116243860 873367063 /nfs/dbraw/zinc/36/70/63/873367063.db2.gz FMQPJXYDKYVIRF-PGRDOPGGSA-N 1 1 393.531 3.634 10 0 GHAEMO Cc1cc2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)ccc2[nH]1 ZINC000116498762 873520195 /nfs/dbraw/zinc/52/01/95/873520195.db2.gz ONQHVGPWPFLIGE-MGPUTAFESA-N 1 1 377.492 3.903 10 0 GHAEMO Cc1cccnc1[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000116553294 873567243 /nfs/dbraw/zinc/56/72/43/873567243.db2.gz USUFQCBVLKDHQZ-SESVDKBCSA-N 1 1 395.551 3.692 10 0 GHAEMO CCc1nc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)ccc2o1 ZINC000116569865 873569071 /nfs/dbraw/zinc/56/90/71/873569071.db2.gz RSBVWMZHLXIPEX-YJBOKZPZSA-N 1 1 393.491 3.817 10 0 GHAEMO CCOCCC1(CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCCC1 ZINC000119046210 874855661 /nfs/dbraw/zinc/85/56/61/874855661.db2.gz KIHMKADACMKLIM-UHFFFAOYSA-N 1 1 388.556 3.645 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000179974336 883041259 /nfs/dbraw/zinc/04/12/59/883041259.db2.gz MMFQMHOUIXRTNS-CQSZACIVSA-N 1 1 385.339 3.627 10 0 GHAEMO CCC(CC)[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCO1 ZINC000181212302 883128956 /nfs/dbraw/zinc/12/89/56/883128956.db2.gz IIBGFOXHWAMXCI-WOJBJXKFSA-N 1 1 388.556 3.642 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000188857236 883888806 /nfs/dbraw/zinc/88/88/06/883888806.db2.gz CFGVNNPHOWXXHD-UTKZUKDTSA-N 1 1 398.576 3.943 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3cc(O)ccc3C(F)(F)F)CC2)[nH+]1 ZINC000189397280 883943220 /nfs/dbraw/zinc/94/32/20/883943220.db2.gz PAFQPFIENXYPHD-UHFFFAOYSA-N 1 1 379.382 3.513 10 0 GHAEMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc2ccccc12 ZINC000101917202 885958304 /nfs/dbraw/zinc/95/83/04/885958304.db2.gz PHYKYOKVASFPSD-UHFFFAOYSA-N 1 1 378.451 3.928 10 0 GHAEMO CCCCN(C)c1ccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000107384623 886049080 /nfs/dbraw/zinc/04/90/80/886049080.db2.gz VECVEHIXXDASIJ-GOSISDBHSA-N 1 1 388.556 3.640 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)CCO1 ZINC000124414236 886745983 /nfs/dbraw/zinc/74/59/83/886745983.db2.gz KIRMHMCUBUMKHN-HNNXBMFYSA-N 1 1 386.521 3.527 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000125189759 886837051 /nfs/dbraw/zinc/83/70/51/886837051.db2.gz PORYDJMWFLEOTI-OAQYLSRUSA-N 1 1 392.547 3.987 10 0 GHAEMO COc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1Cl ZINC000194428830 888585934 /nfs/dbraw/zinc/58/59/34/888585934.db2.gz AGYQJFAERHJCLO-KSSFIOAISA-N 1 1 388.899 3.776 10 0 GHAEMO Cc1c([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1ccccn1 ZINC000195136390 888650532 /nfs/dbraw/zinc/65/05/32/888650532.db2.gz NAKHPVYBRLJKLE-GHTZIAJQSA-N 1 1 375.520 3.748 10 0 GHAEMO Cc1c([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1ccccn1 ZINC000195136390 888650538 /nfs/dbraw/zinc/65/05/38/888650538.db2.gz NAKHPVYBRLJKLE-GHTZIAJQSA-N 1 1 375.520 3.748 10 0 GHAEMO OCCn1nccc1C1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000195508477 888683373 /nfs/dbraw/zinc/68/33/73/888683373.db2.gz NNAOYYYJFRRSJF-UHFFFAOYSA-N 1 1 386.883 3.563 10 0 GHAEMO C[N@@H+]1CC[C@@H](CNC(=O)c2cccnc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245660655 889181797 /nfs/dbraw/zinc/18/17/97/889181797.db2.gz FVBNZMJDLNLXDM-BLLLJJGKSA-N 1 1 382.266 3.950 10 0 GHAEMO C[N@H+]1CC[C@@H](CNC(=O)c2cccnc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245660655 889181809 /nfs/dbraw/zinc/18/18/09/889181809.db2.gz FVBNZMJDLNLXDM-BLLLJJGKSA-N 1 1 382.266 3.950 10 0 GHAEMO COc1cc(OC)cc([C@H](O)CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245728343 889516387 /nfs/dbraw/zinc/51/63/87/889516387.db2.gz PVULUVAMEKFTBL-IUBSTNSRSA-N 1 1 396.531 3.522 10 0 GHAEMO COc1cc(OC)cc([C@H](O)CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245728343 889516399 /nfs/dbraw/zinc/51/63/99/889516399.db2.gz PVULUVAMEKFTBL-IUBSTNSRSA-N 1 1 396.531 3.522 10 0 GHAEMO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245728343 889516403 /nfs/dbraw/zinc/51/64/03/889516403.db2.gz PVULUVAMEKFTBL-IUBSTNSRSA-N 1 1 396.531 3.522 10 0 GHAEMO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000246154151 890555191 /nfs/dbraw/zinc/55/51/91/890555191.db2.gz TXMKTPOZZCYQNT-LSDHHAIUSA-N 1 1 385.537 3.542 10 0 GHAEMO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000246154151 890555199 /nfs/dbraw/zinc/55/51/99/890555199.db2.gz TXMKTPOZZCYQNT-LSDHHAIUSA-N 1 1 385.537 3.542 10 0 GHAEMO CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246198541 890670067 /nfs/dbraw/zinc/67/00/67/890670067.db2.gz MUUDSDDULFLKCT-UEVCKROQSA-N 1 1 394.563 3.955 10 0 GHAEMO CCC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246265621 890889746 /nfs/dbraw/zinc/88/97/46/890889746.db2.gz LRBSLESKAAODEQ-UZLBHIALSA-N 1 1 380.492 3.706 10 0 GHAEMO CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)c2C1 ZINC000066761298 891128701 /nfs/dbraw/zinc/12/87/01/891128701.db2.gz SXTOOJFSKYSJHB-IBGZPJMESA-N 1 1 381.501 3.854 10 0 GHAEMO CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)c2C1 ZINC000066761298 891128706 /nfs/dbraw/zinc/12/87/06/891128706.db2.gz SXTOOJFSKYSJHB-IBGZPJMESA-N 1 1 381.501 3.854 10 0 GHAEMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC(Nc3ccccc3F)CC2)C1 ZINC000074104637 891270817 /nfs/dbraw/zinc/27/08/17/891270817.db2.gz AIIZZCWXUHCYRF-KRWDZBQOSA-N 1 1 376.520 3.532 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000246798709 891309328 /nfs/dbraw/zinc/30/93/28/891309328.db2.gz AUWAXKJHGUOKHU-HUIQTFQGSA-N 1 1 382.552 3.560 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000247054214 891340738 /nfs/dbraw/zinc/34/07/38/891340738.db2.gz UNLCLHDIFWIHGP-SCLBCKFNSA-N 1 1 395.400 3.880 10 0 GHAEMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000248546899 891427136 /nfs/dbraw/zinc/42/71/36/891427136.db2.gz FXQZWNGIKMVCEQ-NHCUHLMSSA-N 1 1 390.543 3.998 10 0 GHAEMO COC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1F ZINC000249007123 891487550 /nfs/dbraw/zinc/48/75/50/891487550.db2.gz IBNLDJZEWZRYEE-ZWKOTPCHSA-N 1 1 386.427 3.571 10 0 GHAEMO CSCc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000249168870 891500101 /nfs/dbraw/zinc/50/01/01/891500101.db2.gz AHOQYPSHRZEGQR-DYESRHJHSA-N 1 1 398.576 3.654 10 0 GHAEMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3cccs3)n2)cc1 ZINC000252652227 891717625 /nfs/dbraw/zinc/71/76/25/891717625.db2.gz IWWKSURAFMYSSU-NVXWUHKLSA-N 1 1 385.489 3.895 10 0 GHAEMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3cccs3)n2)cc1 ZINC000252652227 891717634 /nfs/dbraw/zinc/71/76/34/891717634.db2.gz IWWKSURAFMYSSU-NVXWUHKLSA-N 1 1 385.489 3.895 10 0 GHAEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCC1CCC(C)(C)CC1 ZINC000333502838 902140272 /nfs/dbraw/zinc/14/02/72/902140272.db2.gz VYUXYLFFPWLOGQ-AZUAARDMSA-N 1 1 389.588 3.661 10 0 GHAEMO Cc1ccc(Cc2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c(Br)c1 ZINC000333805447 902339106 /nfs/dbraw/zinc/33/91/06/902339106.db2.gz GYFJBDFIJKIHDJ-MAUKXSAKSA-N 1 1 392.297 3.657 10 0 GHAEMO Cc1ccc(Cc2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)c(Br)c1 ZINC000333805447 902339112 /nfs/dbraw/zinc/33/91/12/902339112.db2.gz GYFJBDFIJKIHDJ-MAUKXSAKSA-N 1 1 392.297 3.657 10 0 GHAEMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cn(C)c2ccccc12 ZINC000185436671 1014579099 /nfs/dbraw/zinc/57/90/99/1014579099.db2.gz KWXMLZITHQCSMS-FGSXEWAUSA-N 1 1 390.531 3.704 10 0 GHAEMO CCO[C@H](Cc1ccccc1)N1CC[NH+](C[C@@H](C)C(=O)c2ccc(F)cc2)CC1 ZINC000022859915 209238656 /nfs/dbraw/zinc/23/86/56/209238656.db2.gz BAAVGUJEGRPVRG-AUSIDOKSSA-N 1 1 398.522 3.867 10 0 GHAEMO C[N@H+](Cc1cnc(Cl)nc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095074910 211216880 /nfs/dbraw/zinc/21/68/80/211216880.db2.gz RPKIDCNMXZZHCS-UHFFFAOYSA-N 1 1 375.300 3.615 10 0 GHAEMO 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10 0 GHAEMO CCc1ccc(C(=O)Nc2sccc2C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000113222346 836855784 /nfs/dbraw/zinc/85/57/84/836855784.db2.gz NWJZEQNNVWNWSP-MAUKXSAKSA-N 1 1 397.544 3.872 10 0 GHAEMO Cc1csc(C2CC[NH+](Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)n1 ZINC000102655890 837198062 /nfs/dbraw/zinc/19/80/62/837198062.db2.gz BNEPQPIBSMHRMF-UHFFFAOYSA-N 1 1 384.461 3.610 10 0 GHAEMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCCc3sccc32)CC1 ZINC000123388610 839361697 /nfs/dbraw/zinc/36/16/97/839361697.db2.gz FGMBZXWPJAQUCZ-QGZVFWFLSA-N 1 1 397.544 3.584 10 0 GHAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000247128011 840275266 /nfs/dbraw/zinc/27/52/66/840275266.db2.gz JIBUGYYYJSTVJW-ZBFHGGJFSA-N 1 1 396.535 3.998 10 0 GHAEMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000328809602 842049992 /nfs/dbraw/zinc/04/99/92/842049992.db2.gz DLPBLYHWXUZMHP-INIZCTEOSA-N 1 1 377.488 3.912 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000328809602 842050002 /nfs/dbraw/zinc/05/00/02/842050002.db2.gz DLPBLYHWXUZMHP-INIZCTEOSA-N 1 1 377.488 3.912 10 0 GHAEMO C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000588432906 842396068 /nfs/dbraw/zinc/39/60/68/842396068.db2.gz BZRPXJYPATYNJV-GBKYUFMXSA-N 1 1 382.479 3.502 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 ZINC000162609404 843285752 /nfs/dbraw/zinc/28/57/52/843285752.db2.gz YLDZROWGLPRCAS-UHFFFAOYSA-N 1 1 398.507 3.701 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3cccc(Oc4ccncc4)c3)CC2)CCO1 ZINC000112211600 843349655 /nfs/dbraw/zinc/34/96/55/843349655.db2.gz KDRRXMARUUQRSA-KRWDZBQOSA-N 1 1 396.491 3.591 10 0 GHAEMO Cn1nc(C(F)F)c2cc(-c3nc([C@H]4C[N@H+]5CCC[C@]5(C)CO4)no3)sc21 ZINC000329646451 861896940 /nfs/dbraw/zinc/89/69/40/861896940.db2.gz BBQXAGWSSLABTR-BMLIUANNSA-N 1 1 395.435 3.548 10 0 GHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000155607684 849580887 /nfs/dbraw/zinc/58/08/87/849580887.db2.gz BOOOETXFQKUAHZ-KRWDZBQOSA-N 1 1 387.553 3.523 10 0 GHAEMO COc1ccc2cccc(CC(=O)NC3CCN(c4ccc(C)c[nH+]4)CC3)c2c1 ZINC000155927538 849700532 /nfs/dbraw/zinc/70/05/32/849700532.db2.gz LOTDDMKETREOJY-UHFFFAOYSA-N 1 1 389.499 3.880 10 0 GHAEMO Brc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1 ZINC000333871646 851883573 /nfs/dbraw/zinc/88/35/73/851883573.db2.gz UQQMIRQDEKPSGN-JONQDZQNSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)c1 ZINC000333871646 851883581 /nfs/dbraw/zinc/88/35/81/851883581.db2.gz UQQMIRQDEKPSGN-JONQDZQNSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000333871648 851883790 /nfs/dbraw/zinc/88/37/90/851883790.db2.gz UQQMIRQDEKPSGN-QXSJWSMHSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000333871648 851883796 /nfs/dbraw/zinc/88/37/96/851883796.db2.gz UQQMIRQDEKPSGN-QXSJWSMHSA-N 1 1 390.281 3.639 10 0 GHAEMO COc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)o1 ZINC000012203883 859302350 /nfs/dbraw/zinc/30/23/50/859302350.db2.gz CXNUJLDWRFQPIX-NRFANRHFSA-N 1 1 390.430 3.695 10 0 GHAEMO COc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)o1 ZINC000012203883 859302354 /nfs/dbraw/zinc/30/23/54/859302354.db2.gz CXNUJLDWRFQPIX-NRFANRHFSA-N 1 1 390.430 3.695 10 0 GHAEMO COc1ccccc1CC1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000102410574 860262898 /nfs/dbraw/zinc/26/28/98/860262898.db2.gz DTCIWBXDFIZCQK-INIZCTEOSA-N 1 1 377.488 3.947 10 0 GHAEMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)cc1 ZINC000102928888 860904890 /nfs/dbraw/zinc/90/48/90/860904890.db2.gz BSSRUYWYSYUFCN-MRXNPFEDSA-N 1 1 390.386 3.792 10 0 GHAEMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)cc1 ZINC000102928888 860904901 /nfs/dbraw/zinc/90/49/01/860904901.db2.gz BSSRUYWYSYUFCN-MRXNPFEDSA-N 1 1 390.386 3.792 10 0 GHAEMO CCn1c2ccc(F)cc2nc1C[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102932204 860908222 /nfs/dbraw/zinc/90/82/22/860908222.db2.gz NIHFREZTZQRGCN-UHFFFAOYSA-N 1 1 382.483 3.919 10 0 GHAEMO CCn1c2ccc(F)cc2nc1C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102932204 860908229 /nfs/dbraw/zinc/90/82/29/860908229.db2.gz NIHFREZTZQRGCN-UHFFFAOYSA-N 1 1 382.483 3.919 10 0 GHAEMO COc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1Cn1cccn1 ZINC000168016005 865086039 /nfs/dbraw/zinc/08/60/39/865086039.db2.gz VAVKJNDMBIOICI-LPHOPBHVSA-N 1 1 394.523 3.841 10 0 GHAEMO CCOc1ccc(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1OC ZINC000172100153 882168671 /nfs/dbraw/zinc/16/86/71/882168671.db2.gz LTDRAGPNEZVULM-UHFFFAOYSA-N 1 1 384.480 3.588 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)[nH+]1 ZINC000172249657 882191365 /nfs/dbraw/zinc/19/13/65/882191365.db2.gz GWAHKOFXGIYEHD-UHFFFAOYSA-N 1 1 378.398 3.511 10 0 GHAEMO CCC(CC)c1cc(CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)on1 ZINC000173378146 882358058 /nfs/dbraw/zinc/35/80/58/882358058.db2.gz PDPVLGMPECHJEA-UHFFFAOYSA-N 1 1 385.512 3.750 10 0 GHAEMO C[C@H](CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)Cc1ccc(Cl)cc1 ZINC000092882764 882444135 /nfs/dbraw/zinc/44/41/35/882444135.db2.gz VKMHROXGEPCEHV-DLBZAZTESA-N 1 1 378.944 3.620 10 0 GHAEMO Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000174917512 882507964 /nfs/dbraw/zinc/50/79/64/882507964.db2.gz PDVQVSHNQHSBPV-OXJNMPFZSA-N 1 1 390.487 3.685 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)[nH+]c1 ZINC000174831279 882531022 /nfs/dbraw/zinc/53/10/22/882531022.db2.gz XCKAVLRLLYYXBB-UHFFFAOYSA-N 1 1 393.491 3.529 10 0 GHAEMO Cc1csc([C@H]2CCCN(C(=O)NC3CCN(c4ccc(C)c[nH+]4)CC3)C2)n1 ZINC000175279349 882564891 /nfs/dbraw/zinc/56/48/91/882564891.db2.gz KFEGMKFGCNTDSS-KRWDZBQOSA-N 1 1 399.564 3.713 10 0 GHAEMO Cc1nc2c(s1)[C@@H](N(C)C(=O)NC1CCN(c3ccc(C)c[nH+]3)CC1)CCC2 ZINC000175282592 882565061 /nfs/dbraw/zinc/56/50/61/882565061.db2.gz DILHSLSVLKYQJK-SFHVURJKSA-N 1 1 399.564 3.843 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCCOc4ccccc43)CC2)[nH+]c1 ZINC000176172049 882642190 /nfs/dbraw/zinc/64/21/90/882642190.db2.gz MVIJEGYAGQIPFQ-LJQANCHMSA-N 1 1 380.492 3.572 10 0 GHAEMO CCn1cc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc21 ZINC000116248507 873367893 /nfs/dbraw/zinc/36/78/93/873367893.db2.gz KTLXRVYGIZWOGI-PGRDOPGGSA-N 1 1 390.531 3.626 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000116245864 873367929 /nfs/dbraw/zinc/36/79/29/873367929.db2.gz HHHTWJHSCJCNDQ-QRWLVFNGSA-N 1 1 394.906 3.924 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@H]3CCCOc4ccccc43)CC2)[nH+]1 ZINC000116952391 873797149 /nfs/dbraw/zinc/79/71/49/873797149.db2.gz KJPWXTNANOCFRG-IBGZPJMESA-N 1 1 380.492 3.572 10 0 GHAEMO COc1ccc(CN(C)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1C ZINC000116970073 873798399 /nfs/dbraw/zinc/79/83/99/873798399.db2.gz JXHSPKRLPHQJNT-UHFFFAOYSA-N 1 1 382.508 3.517 10 0 GHAEMO COCCCOc1cccc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000177131707 882765709 /nfs/dbraw/zinc/76/57/09/882765709.db2.gz SGGSBSDAPGVDEP-UHFFFAOYSA-N 1 1 398.507 3.596 10 0 GHAEMO COc1cc(OC)cc([C@H]2CC[N@H+]([C@H](C)c3nc(-c4cccnc4)no3)C2)c1 ZINC000177410911 882794304 /nfs/dbraw/zinc/79/43/04/882794304.db2.gz RPBQROLOGFCKTF-ZBFHGGJFSA-N 1 1 380.448 3.699 10 0 GHAEMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000104709349 874661979 /nfs/dbraw/zinc/66/19/79/874661979.db2.gz ZYWOJUZCERMDGC-GOSISDBHSA-N 1 1 381.520 3.797 10 0 GHAEMO CC[C@@H](NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000180390803 883053508 /nfs/dbraw/zinc/05/35/08/883053508.db2.gz PVWGAKPVHHXKNB-WOJBJXKFSA-N 1 1 392.975 3.603 10 0 GHAEMO Cc1cc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)nn1-c1ccc(C)cc1 ZINC000180087566 883049634 /nfs/dbraw/zinc/04/96/34/883049634.db2.gz VXBVXNGAOFQODV-UHFFFAOYSA-N 1 1 392.507 3.709 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)N[C@H](c3cccs3)C(C)(C)C)C2)CC1 ZINC000180411136 883056862 /nfs/dbraw/zinc/05/68/62/883056862.db2.gz RWNSEKFEGKUKIW-IEBWSBKVSA-N 1 1 392.613 3.647 10 0 GHAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)N[C@H](c3cccs3)C(C)(C)C)C2)CC1 ZINC000180411100 883057121 /nfs/dbraw/zinc/05/71/21/883057121.db2.gz RWNSEKFEGKUKIW-PKOBYXMFSA-N 1 1 392.613 3.647 10 0 GHAEMO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1N[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180560682 883079904 /nfs/dbraw/zinc/07/99/04/883079904.db2.gz FCJYRRWYCKSWQZ-VSDWSMLSSA-N 1 1 393.510 3.544 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1N[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180560682 883079920 /nfs/dbraw/zinc/07/99/20/883079920.db2.gz FCJYRRWYCKSWQZ-VSDWSMLSSA-N 1 1 393.510 3.544 10 0 GHAEMO CCC(CC)[C@H]1C[C@@H](NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCO1 ZINC000181133115 883149071 /nfs/dbraw/zinc/14/90/71/883149071.db2.gz ROGVSATZMNHENQ-VQTJNVASSA-N 1 1 388.556 3.642 10 0 GHAEMO CSCCCCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000181779390 883184119 /nfs/dbraw/zinc/18/41/19/883184119.db2.gz JOHOJISWFMIWEE-MJGOQNOKSA-N 1 1 378.586 3.515 10 0 GHAEMO O=C(CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(F)cc1F ZINC000186926661 883717250 /nfs/dbraw/zinc/71/72/50/883717250.db2.gz DXMKBRAFJYQAAK-UHFFFAOYSA-N 1 1 398.413 3.862 10 0 GHAEMO Cc1nn(C)cc1NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000189701881 883982082 /nfs/dbraw/zinc/98/20/82/883982082.db2.gz JHLRXIQAEIECCZ-UHFFFAOYSA-N 1 1 396.322 3.821 10 0 GHAEMO Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)CC2)[nH+]c1 ZINC000190224162 884059272 /nfs/dbraw/zinc/05/92/72/884059272.db2.gz WXMTVAARMDLLLT-UNMCSNQZSA-N 1 1 379.504 3.500 10 0 GHAEMO CCCNc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000192491446 884265637 /nfs/dbraw/zinc/26/56/37/884265637.db2.gz DBPPYIYHPJIIET-PGRDOPGGSA-N 1 1 395.551 3.613 10 0 GHAEMO COc1ccc([C@@H](NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C(C)C)cc1 ZINC000128061815 887142155 /nfs/dbraw/zinc/14/21/55/887142155.db2.gz HMAZBYBIOYQYRL-NRFANRHFSA-N 1 1 384.524 3.790 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000129854772 887359145 /nfs/dbraw/zinc/35/91/45/887359145.db2.gz FZYAZWCLOZAYEJ-KRWDZBQOSA-N 1 1 394.441 3.558 10 0 GHAEMO COc1ccc(CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1Cl ZINC000130745207 887469617 /nfs/dbraw/zinc/46/96/17/887469617.db2.gz FGSGFPNTJYCGCA-UHFFFAOYSA-N 1 1 388.899 3.520 10 0 GHAEMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(C)c1 ZINC000052685429 887871462 /nfs/dbraw/zinc/87/14/62/887871462.db2.gz KGZQBAGQVGGTEE-IBGZPJMESA-N 1 1 385.552 3.745 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000246228693 890780134 /nfs/dbraw/zinc/78/01/34/890780134.db2.gz WTWBBQJVPCUNNT-IIBYNOLFSA-N 1 1 387.474 3.709 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)CCO1 ZINC000067682169 891159678 /nfs/dbraw/zinc/15/96/78/891159678.db2.gz UBVRRQORXJBMCK-LBPRGKRZSA-N 1 1 389.393 3.562 10 0 GHAEMO Brc1cccc(-c2c[nH]c(C[N@@H+]3CCS[C@H]4COCC[C@H]43)n2)c1 ZINC000246467984 891267372 /nfs/dbraw/zinc/26/73/72/891267372.db2.gz OIDWUZPPJZBJTC-CVEARBPZSA-N 1 1 394.338 3.546 10 0 GHAEMO Brc1cccc(-c2c[nH]c(C[N@H+]3CCS[C@H]4COCC[C@H]43)n2)c1 ZINC000246467984 891267388 /nfs/dbraw/zinc/26/73/88/891267388.db2.gz OIDWUZPPJZBJTC-CVEARBPZSA-N 1 1 394.338 3.546 10 0 GHAEMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246565773 891286634 /nfs/dbraw/zinc/28/66/34/891286634.db2.gz KWXIMQCDOVVQTF-NVXWUHKLSA-N 1 1 392.883 3.858 10 0 GHAEMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246565762 891287675 /nfs/dbraw/zinc/28/76/75/891287675.db2.gz KWXIMQCDOVVQTF-DOTOQJQBSA-N 1 1 392.883 3.858 10 0 GHAEMO Brc1cc2cccnc2c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246854866 891315614 /nfs/dbraw/zinc/31/56/14/891315614.db2.gz KWAVLZJOOKXVJK-HZPDHXFCSA-N 1 1 379.323 3.704 10 0 GHAEMO CC(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000247068712 891342281 /nfs/dbraw/zinc/34/22/81/891342281.db2.gz UQYNJQQRIAPJFZ-DLEOWTEOSA-N 1 1 383.536 3.771 10 0 GHAEMO CCn1cc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c2ccccc21 ZINC000247187632 891353056 /nfs/dbraw/zinc/35/30/56/891353056.db2.gz KTLXRVYGIZWOGI-XMSQKQJNSA-N 1 1 390.531 3.626 10 0 GHAEMO CCCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000247228866 891358000 /nfs/dbraw/zinc/35/80/00/891358000.db2.gz WFZQZWPYEPTNSW-WIYYLYMNSA-N 1 1 387.524 3.553 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000247570057 891387411 /nfs/dbraw/zinc/38/74/11/891387411.db2.gz WLHPLKYXKAINBX-XMSQKQJNSA-N 1 1 378.520 3.666 10 0 GHAEMO C[N@H+]1CC[C@@H](NC(=O)CCc2ncc(-c3ccccc3)o2)[C@H]1c1ccccc1 ZINC000248052141 891407421 /nfs/dbraw/zinc/40/74/21/891407421.db2.gz NXEWWHWBMQWCLH-AUSIDOKSSA-N 1 1 375.472 3.836 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)CC[C@H]21 ZINC000253553666 891879867 /nfs/dbraw/zinc/87/98/67/891879867.db2.gz FYHJTUNZNCDVSG-UKRRQHHQSA-N 1 1 384.505 3.573 10 0 GHAEMO CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CC[NH2+]C[C@H]3c3cccnc3)sc2C1 ZINC000333370535 902043059 /nfs/dbraw/zinc/04/30/59/902043059.db2.gz UZKPAWJAPJSVCD-RDJZCZTQSA-N 1 1 399.564 3.868 10 0 GHAEMO Brc1ccc(-c2nnc(C[NH+]3CCC([C@@H]4CCCOC4)CC3)o2)o1 ZINC000367980415 922407997 /nfs/dbraw/zinc/40/79/97/922407997.db2.gz DYLJBOPVMHPOEN-CYBMUJFWSA-N 1 1 396.285 3.731 10 0 GHAEMO O=C(NCc1cccnc1)[C@@H]1CC12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000012029477 570599563 /nfs/dbraw/zinc/59/95/63/570599563.db2.gz JLPUENZIDBWQEJ-KRWDZBQOSA-N 1 1 392.528 3.610 10 0 GHAEMO CSc1ccc(O[C@@H](C)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000157742217 835079468 /nfs/dbraw/zinc/07/94/68/835079468.db2.gz LCGHNGCLEDTHIY-INIZCTEOSA-N 1 1 385.533 3.664 10 0 GHAEMO Cc1c(Br)cccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000157762912 835081445 /nfs/dbraw/zinc/08/14/45/835081445.db2.gz PGOMNCZBHJPYRW-UHFFFAOYSA-N 1 1 391.313 3.978 10 0 GHAEMO C[C@H](CSc1ccc(F)cc1)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162327418 843236694 /nfs/dbraw/zinc/23/66/94/843236694.db2.gz QPMDMSFVMRKKFL-OAHLLOKOSA-N 1 1 375.513 3.769 10 0 GHAEMO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000408226524 843341034 /nfs/dbraw/zinc/34/10/34/843341034.db2.gz QBHUXQRUDAANET-GDBMZVCRSA-N 1 1 377.916 3.633 10 0 GHAEMO C[C@@H](NC(=O)NC[C@H]1CCc2[nH+]ccn2C1)c1c(Cl)ccc(F)c1Cl ZINC000332932672 844663657 /nfs/dbraw/zinc/66/36/57/844663657.db2.gz HWKYFSZCEUMUCX-GHMZBOCLSA-N 1 1 385.270 3.952 10 0 GHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CC[C@H]2CN(C(C)=O)c3ccccc32)C1 ZINC000329625126 861814218 /nfs/dbraw/zinc/81/42/18/861814218.db2.gz OLPHAHLTOHIESH-OALUTQOASA-N 1 1 394.519 3.540 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CCc3c[nH]c4c3cccc4C)CC2)[nH+]1 ZINC000156329083 849870639 /nfs/dbraw/zinc/87/06/39/849870639.db2.gz CGPNSTHSNQUTSO-UHFFFAOYSA-N 1 1 376.504 3.898 10 0 GHAEMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247033902 855589364 /nfs/dbraw/zinc/58/93/64/855589364.db2.gz NTCBZPCWKWIQAX-WNOPAQSVSA-N 1 1 399.579 3.898 10 0 GHAEMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912676 881607353 /nfs/dbraw/zinc/60/73/53/881607353.db2.gz UBNRQSGVLVQCRS-HUUCEWRRSA-N 1 1 375.538 3.771 10 0 GHAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912676 881607362 /nfs/dbraw/zinc/60/73/62/881607362.db2.gz UBNRQSGVLVQCRS-HUUCEWRRSA-N 1 1 375.538 3.771 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)CC2)[nH+]1 ZINC000172132019 882171904 /nfs/dbraw/zinc/17/19/04/882171904.db2.gz CEHBAYJTWWLSRN-UNMCSNQZSA-N 1 1 394.519 3.578 10 0 GHAEMO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000172350548 882185476 /nfs/dbraw/zinc/18/54/76/882185476.db2.gz GZVDVWVWGKAETK-HOTGVXAUSA-N 1 1 398.469 3.596 10 0 GHAEMO Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1NC(=O)Nc1ccccc1 ZINC000125847953 869298501 /nfs/dbraw/zinc/29/85/01/869298501.db2.gz AHTVJRRERSYRHG-HXUWFJFHSA-N 1 1 392.503 3.949 10 0 GHAEMO Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1NC(=O)Nc1ccccc1 ZINC000125847953 869298512 /nfs/dbraw/zinc/29/85/12/869298512.db2.gz AHTVJRRERSYRHG-HXUWFJFHSA-N 1 1 392.503 3.949 10 0 GHAEMO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3sccc3-c3ccccc3)C2)CC1 ZINC000173284154 882345548 /nfs/dbraw/zinc/34/55/48/882345548.db2.gz HUKGJSCXRBVEIO-LJQANCHMSA-N 1 1 383.561 3.657 10 0 GHAEMO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1cccs1 ZINC000175016312 882515152 /nfs/dbraw/zinc/51/51/52/882515152.db2.gz YRARUINNQHFOGB-QKLQHJQFSA-N 1 1 386.565 3.532 10 0 GHAEMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OC(C)C ZINC000116245333 873366036 /nfs/dbraw/zinc/36/60/36/873366036.db2.gz OQQTVWRVQSSDDV-XLIONFOSSA-N 1 1 397.519 3.518 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(Cl)cc1F ZINC000116475844 873513694 /nfs/dbraw/zinc/51/36/94/873513694.db2.gz CTMSMDUKGRDGJB-DYVFJYSZSA-N 1 1 376.863 3.906 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CSc3nc4ccccc4s3)CC2)[nH+]1 ZINC000116669681 873614681 /nfs/dbraw/zinc/61/46/81/873614681.db2.gz CBSVQRJFXUNKMO-UHFFFAOYSA-N 1 1 398.557 3.877 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000178851288 882958087 /nfs/dbraw/zinc/95/80/87/882958087.db2.gz LYOOSSUZKMPRLC-KRWDZBQOSA-N 1 1 388.512 3.760 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000128534145 876042444 /nfs/dbraw/zinc/04/24/44/876042444.db2.gz KJAKAVMLDKEQPQ-SNVBAGLBSA-N 1 1 394.349 3.840 10 0 GHAEMO CC[C@H](NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000180387730 883053697 /nfs/dbraw/zinc/05/36/97/883053697.db2.gz DYCKOPKHTXGCAY-PMACEKPBSA-N 1 1 392.975 3.603 10 0 GHAEMO CC[C@H](NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000180387765 883053117 /nfs/dbraw/zinc/05/31/17/883053117.db2.gz DYCKOPKHTXGCAY-UXHICEINSA-N 1 1 392.975 3.603 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2nc3ccc(OC)cc3s2)C1 ZINC000132626192 878785954 /nfs/dbraw/zinc/78/59/54/878785954.db2.gz SAWKSMLHUNRQFM-CYBMUJFWSA-N 1 1 385.493 3.933 10 0 GHAEMO Cc1ccc(N2CCC(C(=O)N[C@H]3CCO[C@H]3c3ccc(Cl)cc3)CC2)[nH+]c1 ZINC000182493035 883223240 /nfs/dbraw/zinc/22/32/40/883223240.db2.gz DLJVCTDXHNYVSP-FPOVZHCZSA-N 1 1 399.922 3.906 10 0 GHAEMO C[NH+]1CCN([C@H]2CCCCN(Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000182909742 883248671 /nfs/dbraw/zinc/24/86/71/883248671.db2.gz BZYJSGBSMGCOPD-QFIPXVFZSA-N 1 1 398.620 3.530 10 0 GHAEMO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000183460363 883266157 /nfs/dbraw/zinc/26/61/57/883266157.db2.gz IAYNTABWVCZDRI-UHFFFAOYSA-N 1 1 386.536 3.903 10 0 GHAEMO COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000184059720 883332209 /nfs/dbraw/zinc/33/22/09/883332209.db2.gz OHXHJHUJUNKPKC-AWEZNQCLSA-N 1 1 390.871 3.636 10 0 GHAEMO Cc1nc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c(-c2ccccc2)o1 ZINC000184912846 883402987 /nfs/dbraw/zinc/40/29/87/883402987.db2.gz DUIADFOGRMEDAE-UHFFFAOYSA-N 1 1 376.460 3.752 10 0 GHAEMO Cn1cc(C[NH2+]Cc2c(F)cc(Br)cc2F)c(-c2ccncc2)n1 ZINC000186548805 883662674 /nfs/dbraw/zinc/66/26/74/883662674.db2.gz IKHVVEMHQBLPMC-UHFFFAOYSA-N 1 1 393.235 3.813 10 0 GHAEMO Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000187789022 883807350 /nfs/dbraw/zinc/80/73/50/883807350.db2.gz VAMUQZCNILISCM-OGWOLHLISA-N 1 1 376.570 3.951 10 0 GHAEMO O=C(C1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1)N1CCCCCC1 ZINC000188798027 883873320 /nfs/dbraw/zinc/87/33/20/883873320.db2.gz NJCKWAKMPYQFFS-UHFFFAOYSA-N 1 1 384.499 3.626 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)CCCCCc3ccc(F)cc3)CC2)CCO1 ZINC000189372585 883941338 /nfs/dbraw/zinc/94/13/38/883941338.db2.gz QRVKNELVDFFNAA-SFHVURJKSA-N 1 1 376.516 3.640 10 0 GHAEMO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000189901324 884021539 /nfs/dbraw/zinc/02/15/39/884021539.db2.gz ACQTWXNQLWMSIL-HNNXBMFYSA-N 1 1 375.432 3.782 10 0 GHAEMO CCn1cc([C@@H]2C[N@H+](Cc3sc(N(C)C)nc3-c3ccccc3)CCO2)cn1 ZINC000191709729 884205820 /nfs/dbraw/zinc/20/58/20/884205820.db2.gz RHUKYOIZEOJSMB-SFHVURJKSA-N 1 1 397.548 3.666 10 0 GHAEMO CCn1cc([C@@H]2C[N@@H+](Cc3sc(N(C)C)nc3-c3ccccc3)CCO2)cn1 ZINC000191709729 884205831 /nfs/dbraw/zinc/20/58/31/884205831.db2.gz RHUKYOIZEOJSMB-SFHVURJKSA-N 1 1 397.548 3.666 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1F ZINC000116478613 886363267 /nfs/dbraw/zinc/36/32/67/886363267.db2.gz XBYOYBLFSBZFNR-GUYCJALGSA-N 1 1 376.863 3.906 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(Cl)c1F ZINC000116478225 886364127 /nfs/dbraw/zinc/36/41/27/886364127.db2.gz DNBPGSRCMVXHBQ-CJNGLKHVSA-N 1 1 376.863 3.906 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CCCOCCc3ccccc3)CC2)[nH+]1 ZINC000116667994 886369442 /nfs/dbraw/zinc/36/94/42/886369442.db2.gz HJAMKVSJKLBZFH-UHFFFAOYSA-N 1 1 381.520 3.515 10 0 GHAEMO Cc1cc(C(=O)CCC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c(C)s1 ZINC000124205180 886718860 /nfs/dbraw/zinc/71/88/60/886718860.db2.gz QSFWZBDFDHQPRD-UHFFFAOYSA-N 1 1 385.533 3.816 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)CCO1 ZINC000124414037 886746726 /nfs/dbraw/zinc/74/67/26/886746726.db2.gz KIRMHMCUBUMKHN-OAHLLOKOSA-N 1 1 386.521 3.527 10 0 GHAEMO Cc1ccc(NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C(F)(F)F ZINC000125470785 886869637 /nfs/dbraw/zinc/86/96/37/886869637.db2.gz LKTHOJZRTXPDDX-KRWDZBQOSA-N 1 1 398.473 3.648 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccccc2NCc2cccnc2)CC1 ZINC000127277484 887046568 /nfs/dbraw/zinc/04/65/68/887046568.db2.gz CHXKPROFYCJTTK-UHFFFAOYSA-N 1 1 389.503 3.522 10 0 GHAEMO Fc1cc(-c2noc(C[NH2+][C@@H]3CCCC[C@@H]3n3cccn3)n2)cc(F)c1F ZINC000127923449 887123630 /nfs/dbraw/zinc/12/36/30/887123630.db2.gz HJXDDOQNAWMDMP-CABCVRRESA-N 1 1 377.370 3.624 10 0 GHAEMO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCCC[C@@H]3n3cccn3)o2)o1 ZINC000128832030 887232324 /nfs/dbraw/zinc/23/23/24/887232324.db2.gz IMMVYZZONIFVGB-NEPJUHHUSA-N 1 1 392.257 3.562 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000245472018 888768221 /nfs/dbraw/zinc/76/82/21/888768221.db2.gz OMTTVXBAAWSJES-BHIYHBOVSA-N 1 1 399.564 3.685 10 0 GHAEMO C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000245549540 888907595 /nfs/dbraw/zinc/90/75/95/888907595.db2.gz OGIDVFXYSYFPNQ-LLGFUMIMSA-N 1 1 385.939 3.940 10 0 GHAEMO CCc1nn(C)c(Cl)c1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245682026 889215331 /nfs/dbraw/zinc/21/53/31/889215331.db2.gz PGWGSEKRMMENRD-RDJZCZTQSA-N 1 1 388.943 3.761 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000245861803 889878962 /nfs/dbraw/zinc/87/89/62/889878962.db2.gz CGUUHHAUIDSNQK-CRAIPNDOSA-N 1 1 398.473 3.666 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000246000698 890158898 /nfs/dbraw/zinc/15/88/98/890158898.db2.gz IPNNPLQZYIFKTG-SCLBCKFNSA-N 1 1 395.400 3.880 10 0 GHAEMO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000246154140 890555253 /nfs/dbraw/zinc/55/52/53/890555253.db2.gz TXMKTPOZZCYQNT-HUUCEWRRSA-N 1 1 385.537 3.542 10 0 GHAEMO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000246154140 890555263 /nfs/dbraw/zinc/55/52/63/890555263.db2.gz TXMKTPOZZCYQNT-HUUCEWRRSA-N 1 1 385.537 3.542 10 0 GHAEMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCC[C@@H](c2nccs2)C1 ZINC000246643478 891295231 /nfs/dbraw/zinc/29/52/31/891295231.db2.gz AFXVLFFGQXRNFP-WOJBJXKFSA-N 1 1 398.576 3.597 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000246815012 891310316 /nfs/dbraw/zinc/31/03/16/891310316.db2.gz BSHDQBMYFYTEFS-HNAYVOBHSA-N 1 1 394.906 3.924 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000247178350 891351418 /nfs/dbraw/zinc/35/14/18/891351418.db2.gz YWZDSIWQPSICRQ-YVEFUNNKSA-N 1 1 378.398 3.531 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000247309941 891365755 /nfs/dbraw/zinc/36/57/55/891365755.db2.gz VVEBXVJECJZLPL-LAUBAEHRSA-N 1 1 381.495 3.669 10 0 GHAEMO CN(C(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)c1nccs1 ZINC000247328941 891368209 /nfs/dbraw/zinc/36/82/09/891368209.db2.gz YKGMIJQKLDUTNK-HUUCEWRRSA-N 1 1 379.551 3.536 10 0 GHAEMO CN(C(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)c1nccs1 ZINC000247328941 891368218 /nfs/dbraw/zinc/36/82/18/891368218.db2.gz YKGMIJQKLDUTNK-HUUCEWRRSA-N 1 1 379.551 3.536 10 0 GHAEMO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248136109 891412944 /nfs/dbraw/zinc/41/29/44/891412944.db2.gz XMVWLVZARNUZKI-XLIONFOSSA-N 1 1 381.501 3.816 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000248463042 891438528 /nfs/dbraw/zinc/43/85/28/891438528.db2.gz ACEPYIJQKZOKKT-XMSQKQJNSA-N 1 1 395.522 3.960 10 0 GHAEMO CSCCCCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248483616 891439888 /nfs/dbraw/zinc/43/98/88/891439888.db2.gz JOHOJISWFMIWEE-IEBWSBKVSA-N 1 1 378.586 3.515 10 0 GHAEMO O=C1Nc2ccccc2[C@H]1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000248743071 891464877 /nfs/dbraw/zinc/46/48/77/891464877.db2.gz ANUKHDANJFUPKS-XAPVIXHLSA-N 1 1 375.516 3.898 10 0 GHAEMO CC(=O)Nc1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C ZINC000248828216 891473519 /nfs/dbraw/zinc/47/35/19/891473519.db2.gz MEHZKWSINBISLB-IIBYNOLFSA-N 1 1 380.492 3.595 10 0 GHAEMO C[N@@H+]1CC[C@@H](CNCc2cn(C(C)(C)C)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249336734 891503280 /nfs/dbraw/zinc/50/32/80/891503280.db2.gz CUSZGFLGEQZBJJ-KSSFIOAISA-N 1 1 379.911 3.608 10 0 GHAEMO C[N@H+]1CC[C@@H](CNCc2cn(C(C)(C)C)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249336734 891503292 /nfs/dbraw/zinc/50/32/92/891503292.db2.gz CUSZGFLGEQZBJJ-KSSFIOAISA-N 1 1 379.911 3.608 10 0 GHAEMO O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261945593 892173701 /nfs/dbraw/zinc/17/37/01/892173701.db2.gz KZRZOWZMWLOARC-DAYGRLMNSA-N 1 1 376.287 3.665 10 0 GHAEMO O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261945599 892173746 /nfs/dbraw/zinc/17/37/46/892173746.db2.gz KZRZOWZMWLOARC-RKVPGOIHSA-N 1 1 376.287 3.665 10 0 GHAEMO CCC[N@H+]1CCCN(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 ZINC000079028694 892179678 /nfs/dbraw/zinc/17/96/78/892179678.db2.gz MUZQUZCNIHMHKQ-UHFFFAOYSA-N 1 1 386.540 3.508 10 0 GHAEMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2OC(F)F)c1 ZINC000102695730 898023484 /nfs/dbraw/zinc/02/34/84/898023484.db2.gz OWMIHTJPZPFGNU-GFCCVEGCSA-N 1 1 380.391 3.595 10 0 GHAEMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N1N=C(c2ccccc2)[C@H](Cc2ccccc2)C1=O ZINC000255970474 209222595 /nfs/dbraw/zinc/22/25/95/209222595.db2.gz DWQLEFWPQKQLLI-RPHTVSPISA-N 1 1 375.516 3.821 10 0 GHAEMO C[N@H+]1C[C@H](CCOC(=O)C(O)(c2ccccc2)c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000169292417 209184832 /nfs/dbraw/zinc/18/48/32/209184832.db2.gz CCZXHOQYLPLQNP-VJBMBRPKSA-N 1 1 393.527 3.976 10 0 in-man GHAEMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1C1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000098091973 212075445 /nfs/dbraw/zinc/07/54/45/212075445.db2.gz MJIVTEQYUJILHQ-WZONZLPQSA-N 1 1 385.463 3.567 10 0 GHAEMO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1C1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000098091973 212075450 /nfs/dbraw/zinc/07/54/50/212075450.db2.gz MJIVTEQYUJILHQ-WZONZLPQSA-N 1 1 385.463 3.567 10 0 GHAEMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cc(C)c(C)o3)C2)CC1 ZINC000020534282 210345957 /nfs/dbraw/zinc/34/59/57/210345957.db2.gz DHFXSQANPLSCRA-FQEVSTJZSA-N 1 1 383.536 3.692 10 0 GHAEMO CCCNC(=O)NC[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000034857331 570341933 /nfs/dbraw/zinc/34/19/33/570341933.db2.gz PSGVWKRCNMBKJX-HXUWFJFHSA-N 1 1 397.519 3.512 10 0 GHAEMO CCCNC(=O)NC[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000034857331 570341936 /nfs/dbraw/zinc/34/19/36/570341936.db2.gz PSGVWKRCNMBKJX-HXUWFJFHSA-N 1 1 397.519 3.512 10 0 GHAEMO C/C(=C\c1nsc(Nc2ccc(Cl)cc2)n1)NCCC[NH+]1CCOCC1 ZINC000005909353 570461457 /nfs/dbraw/zinc/46/14/57/570461457.db2.gz CTIQXWBHSMXXPY-BUHFOSPRSA-N 1 1 393.944 3.608 10 0 GHAEMO Cc1nonc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000023231541 570989779 /nfs/dbraw/zinc/98/97/79/570989779.db2.gz LIXASQRMLJSOEC-JOCHJYFZSA-N 1 1 382.508 3.630 10 0 GHAEMO Cc1onc(-c2ccccc2)c1-c1nnc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)o1 ZINC000329682873 835673773 /nfs/dbraw/zinc/67/37/73/835673773.db2.gz YVAUPUCGACVRRC-QAPCUYQASA-N 1 1 393.491 3.759 10 0 GHAEMO CC[C@@H](NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1nccs1 ZINC000177540042 838014239 /nfs/dbraw/zinc/01/42/39/838014239.db2.gz UMGPHCFSNKMWDL-SOLBZPMBSA-N 1 1 394.585 3.515 10 0 GHAEMO COc1cccc([C@@H]2[C@@H](NC(=O)/C=C\c3cncc(C)c3)CC[N@H+]2C2CC2)c1 ZINC000588396715 840517580 /nfs/dbraw/zinc/51/75/80/840517580.db2.gz WURAEBIWBPFBEF-BDVPDHEMSA-N 1 1 377.488 3.506 10 0 GHAEMO COCc1ccc([C@@H]2CCCN2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)o1 ZINC000163126081 842966998 /nfs/dbraw/zinc/96/69/98/842966998.db2.gz KUBAXQNQJMSMKE-IBGZPJMESA-N 1 1 398.507 3.645 10 0 GHAEMO O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000333579738 847718258 /nfs/dbraw/zinc/71/82/58/847718258.db2.gz VNNKSJQWWBBTDO-JLGINSKQSA-N 1 1 391.515 3.583 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1cn(C)c2ccccc12 ZINC000155229520 849483126 /nfs/dbraw/zinc/48/31/26/849483126.db2.gz UGLBBBFFDMPCFJ-AVRDEDQJSA-N 1 1 390.531 3.533 10 0 GHAEMO CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC(c3nccs3)CC2)cc[nH+]1 ZINC000329692214 862093651 /nfs/dbraw/zinc/09/36/51/862093651.db2.gz GUIMHDXGDBSKLX-WMZOPIPTSA-N 1 1 387.553 3.933 10 0 GHAEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)C[C@H]1CCCCNC1=O ZINC000329820067 862343566 /nfs/dbraw/zinc/34/35/66/862343566.db2.gz GLBDPJWINNELHK-MXKPZRPRSA-N 1 1 385.552 3.748 10 0 GHAEMO Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000171652398 853536902 /nfs/dbraw/zinc/53/69/02/853536902.db2.gz LECCVPLJJWNLMT-AASMZFQISA-N 1 1 396.579 3.597 10 0 GHAEMO Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000171652398 853536911 /nfs/dbraw/zinc/53/69/11/853536911.db2.gz LECCVPLJJWNLMT-AASMZFQISA-N 1 1 396.579 3.597 10 0 GHAEMO CCc1noc([C@@H](C)[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)n1 ZINC000330183126 862643324 /nfs/dbraw/zinc/64/33/24/862643324.db2.gz POLCOHVJGNFORL-IUSZMWJPSA-N 1 1 379.464 3.797 10 0 GHAEMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246975219 855346844 /nfs/dbraw/zinc/34/68/44/855346844.db2.gz JSGLULVOGQHMEA-UCFCWBNQSA-N 1 1 399.579 3.898 10 0 GHAEMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000102695705 860819767 /nfs/dbraw/zinc/81/97/67/860819767.db2.gz SIJLQSZDSIJZHO-LBPRGKRZSA-N 1 1 378.856 3.655 10 0 GHAEMO Cc1ccc2c(C)cc(N[C@@H]3CC(=O)N(C4CC4)[C@H]3c3ccnn3C)[nH+]c2c1 ZINC000329181214 861112916 /nfs/dbraw/zinc/11/29/16/861112916.db2.gz DRPVGUWYYCWCAX-XMSQKQJNSA-N 1 1 375.476 3.502 10 0 GHAEMO CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000092145221 882281233 /nfs/dbraw/zinc/28/12/33/882281233.db2.gz PRGYQJWFCJYXKY-UHFFFAOYSA-N 1 1 380.964 3.667 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(C4CC4)nc4ccc(F)cc43)CC2)CCO1 ZINC000173252751 882345036 /nfs/dbraw/zinc/34/50/36/882345036.db2.gz NUMJLGCPNNOJHS-OAHLLOKOSA-N 1 1 397.494 3.577 10 0 GHAEMO COc1ccc(CN(C)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1C 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CCN1CC2(CCN(c3[nH+]cnc4[nH]ccc43)CC2)C[C@@H](c2ccccc2)C1=O ZINC000096165198 535443885 /nfs/dbraw/zinc/44/38/85/535443885.db2.gz GXHZVDSCJLYRJY-IBGZPJMESA-N 1 1 389.503 3.581 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000157119722 834762834 /nfs/dbraw/zinc/76/28/34/834762834.db2.gz JVSLKAKKTKGVOP-UHFFFAOYSA-N 1 1 375.476 3.969 10 0 GHAEMO COc1cc(C2(C(=O)NC3CCN(c4ccc(C)c[nH+]4)CC3)CC2)ccc1C ZINC000157720943 835070637 /nfs/dbraw/zinc/07/06/37/835070637.db2.gz ZHWYHEKQNCVELN-UHFFFAOYSA-N 1 1 379.504 3.524 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC000157781648 835089255 /nfs/dbraw/zinc/08/92/55/835089255.db2.gz KBVQTZGIJKAERB-UHFFFAOYSA-N 1 1 398.898 3.746 10 0 GHAEMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000332708074 836473649 /nfs/dbraw/zinc/47/36/49/836473649.db2.gz XDWKZFPYOIUWEP-KGXLCCSFSA-N 1 1 388.596 3.721 10 0 GHAEMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3ncc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000408413508 844172207 /nfs/dbraw/zinc/17/22/07/844172207.db2.gz DDASNNFZAWQPJD-GASCZTMLSA-N 1 1 394.585 3.794 10 0 GHAEMO C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000588432905 842396313 /nfs/dbraw/zinc/39/63/13/842396313.db2.gz BZRPXJYPATYNJV-DAKPFUFHSA-N 1 1 382.479 3.502 10 0 GHAEMO COc1cccc([C@@H]2[C@H](NC(=O)/C=C\c3ccc(O)cc3)CC[N@H+]2C2CC2)c1 ZINC000588466450 843729264 /nfs/dbraw/zinc/72/92/64/843729264.db2.gz CBYNRDHQXPWQAM-CCVZUGBHSA-N 1 1 378.472 3.508 10 0 GHAEMO CCS[C@H]1CC[C@@H](N(C)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000151571463 845252832 /nfs/dbraw/zinc/25/28/32/845252832.db2.gz QOAFTTKOVBEGES-MSOLQXFVSA-N 1 1 376.570 3.674 10 0 GHAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(Cc2ccco2)C2CCCC2)cn1 ZINC000105168598 845949596 /nfs/dbraw/zinc/94/95/96/845949596.db2.gz QXWDJBXEMWHOEK-UHFFFAOYSA-N 1 1 379.464 3.823 10 0 GHAEMO Cc1ccccc1-c1cc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)n(C)n1 ZINC000153523842 848601292 /nfs/dbraw/zinc/60/12/92/848601292.db2.gz DOLXSIMJEIMBFM-UHFFFAOYSA-N 1 1 392.507 3.616 10 0 GHAEMO Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2cc[nH+]c3cc(Cl)ccc23)CC(=O)N1C ZINC000330147407 862614278 /nfs/dbraw/zinc/61/42/78/862614278.db2.gz UBVFYCNRFVKVGB-YLJYHZDGSA-N 1 1 383.883 3.622 10 0 GHAEMO COc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)o1 ZINC000012203873 859302398 /nfs/dbraw/zinc/30/23/98/859302398.db2.gz CXNUJLDWRFQPIX-OAQYLSRUSA-N 1 1 390.430 3.695 10 0 GHAEMO COc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)o1 ZINC000012203873 859302401 /nfs/dbraw/zinc/30/24/01/859302401.db2.gz CXNUJLDWRFQPIX-OAQYLSRUSA-N 1 1 390.430 3.695 10 0 GHAEMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000102695706 860819690 /nfs/dbraw/zinc/81/96/90/860819690.db2.gz SIJLQSZDSIJZHO-GFCCVEGCSA-N 1 1 378.856 3.655 10 0 GHAEMO C[N@@H+](CCCNC(=O)N[C@@H](c1ccccc1)c1ccncc1)Cc1ccccc1 ZINC000103177681 863902337 /nfs/dbraw/zinc/90/23/37/863902337.db2.gz NPXYLHFLDLMGFJ-QHCPKHFHSA-N 1 1 388.515 3.992 10 0 GHAEMO C[N@@H+](CCCNC(=O)N[C@H](c1ccccc1)c1ccncc1)Cc1ccccc1 ZINC000103177682 863902524 /nfs/dbraw/zinc/90/25/24/863902524.db2.gz NPXYLHFLDLMGFJ-HSZRJFAPSA-N 1 1 388.515 3.992 10 0 GHAEMO COc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000103185336 863907066 /nfs/dbraw/zinc/90/70/66/863907066.db2.gz MPGBXNGEPSRMTK-PKOBYXMFSA-N 1 1 399.510 3.759 10 0 GHAEMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000103227551 863914644 /nfs/dbraw/zinc/91/46/44/863914644.db2.gz GITOEVPDBKOEBA-CQSZACIVSA-N 1 1 391.462 3.993 10 0 GHAEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000103285805 863939411 /nfs/dbraw/zinc/93/94/11/863939411.db2.gz ZWIDGHALHOPFSR-RDJZCZTQSA-N 1 1 396.922 3.824 10 0 GHAEMO CCn1cc(C2CC[NH+](Cc3nc4sc5c(c4c(N)n3)CCCC5)CC2)cn1 ZINC000103473283 866049132 /nfs/dbraw/zinc/04/91/32/866049132.db2.gz IXNWVEFFULGZSN-UHFFFAOYSA-N 1 1 396.564 3.748 10 0 GHAEMO Cc1nc(C)c([C@@H](C)N(C)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000173372780 882358084 /nfs/dbraw/zinc/35/80/84/882358084.db2.gz NIZNTOSVNCWQFA-OAHLLOKOSA-N 1 1 387.553 3.835 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Nc3ccccc3OC(F)F)CC2)[nH+]c1 ZINC000174498413 882472247 /nfs/dbraw/zinc/47/22/47/882472247.db2.gz OTCWCCMHDMQNPF-UHFFFAOYSA-N 1 1 376.407 3.782 10 0 GHAEMO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000174915288 882507693 /nfs/dbraw/zinc/50/76/93/882507693.db2.gz PYFJXZFMGLROIX-AWEZNQCLSA-N 1 1 385.430 3.731 10 0 GHAEMO COc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000093507447 882554408 /nfs/dbraw/zinc/55/44/08/882554408.db2.gz FQVQLQXDAAFGAW-QUCCMNQESA-N 1 1 386.492 3.880 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1csc(-c2ccsc2)n1 ZINC000116245165 873365908 /nfs/dbraw/zinc/36/59/08/873365908.db2.gz BWAVIOXDKVISQF-YOEHRIQHSA-N 1 1 398.557 3.907 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000116248166 873367793 /nfs/dbraw/zinc/36/77/93/873367793.db2.gz AZQUJJGWXIDOFI-KXBFYZLASA-N 1 1 389.952 3.854 10 0 GHAEMO Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116246624 873368017 /nfs/dbraw/zinc/36/80/17/873368017.db2.gz VXLPGTIFJDJJAH-SIKLNZKXSA-N 1 1 393.531 3.688 10 0 GHAEMO Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116246624 873368030 /nfs/dbraw/zinc/36/80/30/873368030.db2.gz VXLPGTIFJDJJAH-SIKLNZKXSA-N 1 1 393.531 3.688 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000116475317 873512837 /nfs/dbraw/zinc/51/28/37/873512837.db2.gz DEVNBYFIBNQMOC-WFASDCNBSA-N 1 1 378.398 3.531 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000116568534 873567346 /nfs/dbraw/zinc/56/73/46/873567346.db2.gz NHEJDSQVOZXEAW-JTSKRJEESA-N 1 1 396.510 3.805 10 0 GHAEMO C[C@H](NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000180381523 883053895 /nfs/dbraw/zinc/05/38/95/883053895.db2.gz YDDVQQSTGFZGFO-CVDCTZTESA-N 1 1 394.563 3.712 10 0 GHAEMO Cc1cc([C@@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000180576753 883081277 /nfs/dbraw/zinc/08/12/77/883081277.db2.gz LVRMIWXYVZEAGO-HZPDHXFCSA-N 1 1 381.358 3.909 10 0 GHAEMO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(Br)c(C)c1 ZINC000180774819 883098483 /nfs/dbraw/zinc/09/84/83/883098483.db2.gz YWJHZAQWDQBOAY-WFASDCNBSA-N 1 1 379.302 3.681 10 0 GHAEMO CCC(CC)n1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000121841329 877900304 /nfs/dbraw/zinc/90/03/04/877900304.db2.gz XSFFGIYOXJQMMU-HRAATJIYSA-N 1 1 383.540 3.588 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000121939409 878060356 /nfs/dbraw/zinc/06/03/56/878060356.db2.gz KPFSARQFEAEGER-UHFFFAOYSA-N 1 1 393.512 3.808 10 0 GHAEMO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183490592 883267216 /nfs/dbraw/zinc/26/72/16/883267216.db2.gz DJTUPSCQXWOIIT-ICSRJNTNSA-N 1 1 385.533 3.865 10 0 GHAEMO CSCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000184775121 883394433 /nfs/dbraw/zinc/39/44/33/883394433.db2.gz RSZRJHFCLKQLQS-LPHOPBHVSA-N 1 1 384.549 3.977 10 0 GHAEMO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000186243938 883624676 /nfs/dbraw/zinc/62/46/76/883624676.db2.gz XVWKXGVPFLXDDZ-QRWLVFNGSA-N 1 1 381.501 3.750 10 0 GHAEMO CCOc1c(OC)cc(C[NH+]2CCC(Nc3nccs3)CC2)cc1OC ZINC000189958896 884027202 /nfs/dbraw/zinc/02/72/02/884027202.db2.gz BPJIIJVBSQJGPZ-UHFFFAOYSA-N 1 1 377.510 3.636 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000192425563 884261127 /nfs/dbraw/zinc/26/11/27/884261127.db2.gz KEEYVIZLLIVADE-CJNGLKHVSA-N 1 1 393.413 3.528 10 0 GHAEMO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC(Cc3[nH+]ccn3C)CC2)c(Cl)c1 ZINC000106164372 886027487 /nfs/dbraw/zinc/02/74/87/886027487.db2.gz REDWIIOPCXXXRJ-MRXNPFEDSA-N 1 1 388.943 3.972 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccc2ccccc2c1 ZINC000116250339 886357408 /nfs/dbraw/zinc/35/74/08/886357408.db2.gz BRBVMLPYTZJIIA-MBSDFSHPSA-N 1 1 389.499 3.640 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)[nH+]1 ZINC000124195825 886715681 /nfs/dbraw/zinc/71/56/81/886715681.db2.gz KOBAYAZSERSVFE-NHCUHLMSSA-N 1 1 394.519 3.578 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4)c3)CC2)CCO1 ZINC000135437508 888240906 /nfs/dbraw/zinc/24/09/06/888240906.db2.gz RWUOAAICDGRWPG-INIZCTEOSA-N 1 1 399.922 3.727 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000245408104 888747047 /nfs/dbraw/zinc/74/70/47/888747047.db2.gz FPUGWLVRCWSYEB-AUSIDOKSSA-N 1 1 392.547 3.712 10 0 GHAEMO COc1cc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@H](n4ccnc4)C3)cs2)ccc1O ZINC000245583511 888996806 /nfs/dbraw/zinc/99/68/06/888996806.db2.gz JKLBVTBKWHLVAH-RHSMWYFYSA-N 1 1 384.505 3.804 10 0 GHAEMO COc1cc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H](n4ccnc4)C3)cs2)ccc1O ZINC000245583511 888996811 /nfs/dbraw/zinc/99/68/11/888996811.db2.gz JKLBVTBKWHLVAH-RHSMWYFYSA-N 1 1 384.505 3.804 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245650764 889165725 /nfs/dbraw/zinc/16/57/25/889165725.db2.gz CFSODTGEVZVFKG-FOIQADDNSA-N 1 1 376.859 3.536 10 0 GHAEMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H](O)c4nccn4C)C3)cs2)cc1 ZINC000245685310 889223583 /nfs/dbraw/zinc/22/35/83/889223583.db2.gz MOKVQXPDEYMPDA-PKOBYXMFSA-N 1 1 382.533 3.798 10 0 GHAEMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H](O)c4nccn4C)C3)cs2)cc1 ZINC000245685310 889223597 /nfs/dbraw/zinc/22/35/97/889223597.db2.gz MOKVQXPDEYMPDA-PKOBYXMFSA-N 1 1 382.533 3.798 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000245708359 889359122 /nfs/dbraw/zinc/35/91/22/889359122.db2.gz SHTZUFPJURBSJI-KZULUSFZSA-N 1 1 379.838 3.654 10 0 GHAEMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000245796750 889745716 /nfs/dbraw/zinc/74/57/16/889745716.db2.gz ANSZRIXQPARQOG-UYAOXDASSA-N 1 1 399.560 3.979 10 0 GHAEMO C[N@H+]1CC[C@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)[C@H]1c1ccccc1 ZINC000245809941 889767586 /nfs/dbraw/zinc/76/75/86/889767586.db2.gz CGSSNQQXUZKRED-PZJWPPBQSA-N 1 1 397.906 3.642 10 0 GHAEMO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246567171 891287072 /nfs/dbraw/zinc/28/70/72/891287072.db2.gz LHBVPINXSXUAQG-MZMPZRCHSA-N 1 1 391.874 3.789 10 0 GHAEMO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246567171 891287088 /nfs/dbraw/zinc/28/70/88/891287088.db2.gz LHBVPINXSXUAQG-MZMPZRCHSA-N 1 1 391.874 3.789 10 0 GHAEMO O=C(c1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1)N1CCCCC1 ZINC000246590977 891289877 /nfs/dbraw/zinc/28/98/77/891289877.db2.gz LZYLFFJDQMKCBB-NHCUHLMSSA-N 1 1 382.504 3.994 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(Cl)cc1F ZINC000246835466 891313219 /nfs/dbraw/zinc/31/32/19/891313219.db2.gz CTMSMDUKGRDGJB-SUMWQHHRSA-N 1 1 376.863 3.906 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000247133733 891348534 /nfs/dbraw/zinc/34/85/34/891348534.db2.gz HHHTWJHSCJCNDQ-FOIQADDNSA-N 1 1 394.906 3.924 10 0 GHAEMO CCCc1noc(CCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000247224062 891356088 /nfs/dbraw/zinc/35/60/88/891356088.db2.gz RLRFFSGTFNJNAL-HKUYNNGSSA-N 1 1 384.524 3.514 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000247555882 891384894 /nfs/dbraw/zinc/38/48/94/891384894.db2.gz TYYUVRXYUCDNIH-VGOFRKELSA-N 1 1 396.510 3.805 10 0 GHAEMO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247919795 891400265 /nfs/dbraw/zinc/40/02/65/891400265.db2.gz BNUGENYSVZTYKF-UZLBHIALSA-N 1 1 381.501 3.816 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)CC[C@H]21 ZINC000247959846 891402584 /nfs/dbraw/zinc/40/25/84/891402584.db2.gz GCIBMSORENJAJQ-PZJWPPBQSA-N 1 1 398.551 3.651 10 0 GHAEMO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)sc1Br ZINC000248085286 891409139 /nfs/dbraw/zinc/40/91/39/891409139.db2.gz SRMHDZQJEGELGP-NEPJUHHUSA-N 1 1 387.343 3.607 10 0 GHAEMO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248440152 891436594 /nfs/dbraw/zinc/43/65/94/891436594.db2.gz UMQLTTBBGNTDNH-TZMCWYRMSA-N 1 1 392.385 3.745 10 0 GHAEMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248440152 891436606 /nfs/dbraw/zinc/43/66/06/891436606.db2.gz UMQLTTBBGNTDNH-TZMCWYRMSA-N 1 1 392.385 3.745 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249197520 891501383 /nfs/dbraw/zinc/50/13/83/891501383.db2.gz RRRLRLCGXUNJLY-MAODMQOUSA-N 1 1 379.483 3.533 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)CCO1 ZINC000079490757 892407912 /nfs/dbraw/zinc/40/79/12/892407912.db2.gz AWGPPZDRCXTHGN-HNNXBMFYSA-N 1 1 375.513 3.634 10 0 GHAEMO Cc1cc(Br)c(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)s1 ZINC000333760333 902315165 /nfs/dbraw/zinc/31/51/65/902315165.db2.gz COCJUKOQGSISLU-ABAIWWIYSA-N 1 1 384.299 3.795 10 0 GHAEMO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4nccs4)CC3)cc2)n1 ZINC000019221008 210231299 /nfs/dbraw/zinc/23/12/99/210231299.db2.gz RLSDJJXCRXSPCW-UHFFFAOYSA-N 1 1 395.532 3.796 10 0 GHAEMO Cc1cnccc1CN(C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000015078947 210152131 /nfs/dbraw/zinc/15/21/31/210152131.db2.gz YWMHGNGXHJPWEC-HSZRJFAPSA-N 1 1 397.563 3.638 10 0 GHAEMO CC[C@@H](C)CNC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000015062187 210146383 /nfs/dbraw/zinc/14/63/83/210146383.db2.gz OOGSRDRSXCMINF-OAQYLSRUSA-N 1 1 399.623 3.958 10 0 GHAEMO Cc1ccccc1-c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3CCCO)C2)c1 ZINC000299763448 212032612 /nfs/dbraw/zinc/03/26/12/212032612.db2.gz WRTITQSASVITFN-VWNXMTODSA-N 1 1 392.543 3.857 10 0 GHAEMO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)nc(C)n1 ZINC000012297472 570294652 /nfs/dbraw/zinc/29/46/52/570294652.db2.gz ZQEDCIOKYDCMID-QHCPKHFHSA-N 1 1 384.568 3.992 10 0 GHAEMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)C)cc1OC ZINC000036095994 570535587 /nfs/dbraw/zinc/53/55/87/570535587.db2.gz BNROWUHFXNCFDW-HXUWFJFHSA-N 1 1 391.483 3.631 10 0 GHAEMO C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036250240 570585399 /nfs/dbraw/zinc/58/53/99/570585399.db2.gz SRVIETLJXKJGAO-WIYYLYMNSA-N 1 1 391.600 3.527 10 0 GHAEMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(n2cncn2)CC1 ZINC000156576696 834439277 /nfs/dbraw/zinc/43/92/77/834439277.db2.gz DZFMFMALJXHUPJ-GOSISDBHSA-N 1 1 389.503 3.533 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)CCc3nc4ccccc4s3)CC2)[nH+]c1 ZINC000157911581 835154348 /nfs/dbraw/zinc/15/43/48/835154348.db2.gz VKNAZPBVJZQTHY-UHFFFAOYSA-N 1 1 380.517 3.718 10 0 GHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000158548732 835423033 /nfs/dbraw/zinc/42/30/33/835423033.db2.gz IRZQUFMRAGKVNQ-GOSISDBHSA-N 1 1 398.898 3.786 10 0 GHAEMO Brc1cccc([C@@H]2C[C@@H]2c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000329739001 835821837 /nfs/dbraw/zinc/82/18/37/835821837.db2.gz UQQMIRQDEKPSGN-UGUYLWEFSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1cccc([C@@H]2C[C@@H]2c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000329739001 835821843 /nfs/dbraw/zinc/82/18/43/835821843.db2.gz UQQMIRQDEKPSGN-UGUYLWEFSA-N 1 1 390.281 3.639 10 0 GHAEMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000332680034 836456702 /nfs/dbraw/zinc/45/67/02/836456702.db2.gz GSFAYGCFXNHSMR-NSHGMRRFSA-N 1 1 380.536 3.665 10 0 GHAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000247777933 844393380 /nfs/dbraw/zinc/39/33/80/844393380.db2.gz RCVDKGUDYBVZEA-WMLDXEAASA-N 1 1 389.931 3.596 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Br)cc3)C2)c1 ZINC000106225120 840805534 /nfs/dbraw/zinc/80/55/34/840805534.db2.gz LSBLKPGNDVRBAI-WMLDXEAASA-N 1 1 391.313 3.618 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(Br)cc3)C2)c1 ZINC000106225120 840805542 /nfs/dbraw/zinc/80/55/42/840805542.db2.gz LSBLKPGNDVRBAI-WMLDXEAASA-N 1 1 391.313 3.618 10 0 GHAEMO CC(C)c1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c2cnn(C(C)C)c2n1 ZINC000408184444 841980188 /nfs/dbraw/zinc/98/01/88/841980188.db2.gz YBORBHRJJNPUIK-DLBZAZTESA-N 1 1 383.540 3.834 10 0 GHAEMO C[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(Br)s1 ZINC000162687575 842491547 /nfs/dbraw/zinc/49/15/47/842491547.db2.gz WSMJOSRASKDRLQ-GFCCVEGCSA-N 1 1 396.354 3.829 10 0 GHAEMO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162561641 843275379 /nfs/dbraw/zinc/27/53/79/843275379.db2.gz BYMDCCFIEMKZFN-UHFFFAOYSA-N 1 1 397.910 3.663 10 0 GHAEMO Cc1c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cnn1-c1ccccc1Cl ZINC000162660016 843294713 /nfs/dbraw/zinc/29/47/13/843294713.db2.gz PGOYFKCSIGLKTN-UHFFFAOYSA-N 1 1 397.910 3.663 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1cn(C)c2ccccc12 ZINC000155229411 849482951 /nfs/dbraw/zinc/48/29/51/849482951.db2.gz UGLBBBFFDMPCFJ-GCJKJVERSA-N 1 1 390.531 3.533 10 0 GHAEMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000247004086 855450636 /nfs/dbraw/zinc/45/06/36/855450636.db2.gz LUHBEPSWGGEZAK-CKUXNOBLSA-N 1 1 399.579 3.755 10 0 GHAEMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195343316 856225628 /nfs/dbraw/zinc/22/56/28/856225628.db2.gz XZILWEGQVBNNON-CABCVRRESA-N 1 1 387.505 3.511 10 0 GHAEMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195343316 856225635 /nfs/dbraw/zinc/22/56/35/856225635.db2.gz XZILWEGQVBNNON-CABCVRRESA-N 1 1 387.505 3.511 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2cccc(Br)c2)C1 ZINC000172456236 860433223 /nfs/dbraw/zinc/43/32/23/860433223.db2.gz HPOLGHNFWFSUJB-MRXNPFEDSA-N 1 1 391.313 3.755 10 0 GHAEMO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)n2)cc1F ZINC000329020959 860952166 /nfs/dbraw/zinc/95/21/66/860952166.db2.gz HVNSFSYZYMNMGT-DOMZBBRYSA-N 1 1 383.427 3.995 10 0 GHAEMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@H](c4nc(C5CC5)no4)C3)n2)cc1F ZINC000329020959 860952175 /nfs/dbraw/zinc/95/21/75/860952175.db2.gz HVNSFSYZYMNMGT-DOMZBBRYSA-N 1 1 383.427 3.995 10 0 GHAEMO CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000172193636 882176261 /nfs/dbraw/zinc/17/62/61/882176261.db2.gz CFCYZARPFAYZHV-UGKGYDQZSA-N 1 1 380.536 3.566 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N3CCCC[C@H]3c3cccn3C)CC2)[nH+]1 ZINC000175527071 882594535 /nfs/dbraw/zinc/59/45/35/882594535.db2.gz GQEDHMKUHSGPCK-FQEVSTJZSA-N 1 1 381.524 3.634 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000176525472 882711290 /nfs/dbraw/zinc/71/12/90/882711290.db2.gz CGUUHHAUIDSNQK-YJBOKZPZSA-N 1 1 398.473 3.666 10 0 GHAEMO CCn1cc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc21 ZINC000116248510 873368148 /nfs/dbraw/zinc/36/81/48/873368148.db2.gz KTLXRVYGIZWOGI-AVRDEDQJSA-N 1 1 390.531 3.626 10 0 GHAEMO Cc1cccnc1[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000116553289 873565963 /nfs/dbraw/zinc/56/59/63/873565963.db2.gz USUFQCBVLKDHQZ-CEWLAPEOSA-N 1 1 395.551 3.692 10 0 GHAEMO CC[N@H+](CC(=O)Nc1ccc(C(C)C)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931521 873895103 /nfs/dbraw/zinc/89/51/03/873895103.db2.gz CIRNTFSGEGFCGW-UHFFFAOYSA-N 1 1 381.520 3.972 10 0 GHAEMO CC[N@@H+](CC(=O)Nc1ccc(C(C)C)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931521 873895118 /nfs/dbraw/zinc/89/51/18/873895118.db2.gz CIRNTFSGEGFCGW-UHFFFAOYSA-N 1 1 381.520 3.972 10 0 GHAEMO CCC[N@@H+](Cc1ccc(O)c(OC)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000180073143 883048967 /nfs/dbraw/zinc/04/89/67/883048967.db2.gz VENRYZMVDJRUHW-UHFFFAOYSA-N 1 1 382.504 3.918 10 0 GHAEMO CC[C@@H](NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000180387784 883054349 /nfs/dbraw/zinc/05/43/49/883054349.db2.gz DYCKOPKHTXGCAY-WOJBJXKFSA-N 1 1 392.975 3.603 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)C[C@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180249169 883070344 /nfs/dbraw/zinc/07/03/44/883070344.db2.gz NRGKPKWEHGCFAR-PBEJRMEISA-N 1 1 390.886 3.712 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)CC2)[nH+]1 ZINC000183503720 883268856 /nfs/dbraw/zinc/26/88/56/883268856.db2.gz LXKWIKBDHYYXDA-JXFKEZNVSA-N 1 1 379.508 3.547 10 0 GHAEMO CC(=O)N1CC[C@H]([NH2+]Cc2csc(-c3ccccn3)n2)c2ccc(F)cc2C1 ZINC000185356397 883439390 /nfs/dbraw/zinc/43/93/90/883439390.db2.gz CSFONBFFIOJACL-IBGZPJMESA-N 1 1 396.491 3.927 10 0 GHAEMO Fc1cc(Br)cc(F)c1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000186551891 883662993 /nfs/dbraw/zinc/66/29/93/883662993.db2.gz CNVJKYKKPDYPJL-UHFFFAOYSA-N 1 1 379.208 3.802 10 0 GHAEMO Cc1ccc(-c2cc(C(=O)N3CCC[C@H](Cc4nccn4C)C3)n[nH]2)c(C)c1 ZINC000186613591 883675542 /nfs/dbraw/zinc/67/55/42/883675542.db2.gz QOMREAYBCAONEA-QGZVFWFLSA-N 1 1 377.492 3.522 10 0 GHAEMO C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189867018 884018277 /nfs/dbraw/zinc/01/82/77/884018277.db2.gz MMIJPWUMFXAMGN-MOPGFXCFSA-N 1 1 397.563 3.917 10 0 GHAEMO Fc1ccc(OC2CC[NH+](Cc3cc(Cl)cc4c3OCOC4)CC2)cn1 ZINC000190540881 884097471 /nfs/dbraw/zinc/09/74/71/884097471.db2.gz CGFNFODQZJSZDQ-UHFFFAOYSA-N 1 1 378.831 3.784 10 0 GHAEMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC3(CCOCC3)c3ccccc32)C1 ZINC000191035899 884148758 /nfs/dbraw/zinc/14/87/58/884148758.db2.gz ZWGFBEQQPCGVHK-IBGZPJMESA-N 1 1 385.552 3.777 10 0 GHAEMO CCCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000191713752 884205754 /nfs/dbraw/zinc/20/57/54/884205754.db2.gz GKQUVJNSWLWUJL-UWJYYQICSA-N 1 1 397.519 3.519 10 0 GHAEMO COc1ccccc1-c1nnc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000192135024 884243088 /nfs/dbraw/zinc/24/30/88/884243088.db2.gz AKSKKNWCOBCXBV-QFBILLFUSA-N 1 1 387.386 3.643 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000106166030 886027025 /nfs/dbraw/zinc/02/70/25/886027025.db2.gz MIWRNQVKFOOFQN-UHFFFAOYSA-N 1 1 381.307 3.620 10 0 GHAEMO CCOc1cccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116539340 886364825 /nfs/dbraw/zinc/36/48/25/886364825.db2.gz DUJJAOIQMROVSC-SPEDKVCISA-N 1 1 396.535 3.751 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)NCc3nc(C(C)(C)C)cs3)CC2)[nH+]1 ZINC000116956431 886373688 /nfs/dbraw/zinc/37/36/88/886373688.db2.gz FVCBFIGREGPIAB-UHFFFAOYSA-N 1 1 387.553 3.612 10 0 GHAEMO CC(C)c1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124165648 886712235 /nfs/dbraw/zinc/71/22/35/886712235.db2.gz YUPWMSRKGLUQAP-HNNXBMFYSA-N 1 1 390.963 3.894 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)NCc2ccccc2OC2CCC2)CC1 ZINC000127522887 887072824 /nfs/dbraw/zinc/07/28/24/887072824.db2.gz XYRBFKNYRALEMW-UHFFFAOYSA-N 1 1 382.508 3.516 10 0 GHAEMO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 ZINC000134995845 887934083 /nfs/dbraw/zinc/93/40/83/887934083.db2.gz ZAILFJQHLPKXPK-URKNILKWSA-N 1 1 390.890 3.927 10 0 GHAEMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000245392097 888743735 /nfs/dbraw/zinc/74/37/35/888743735.db2.gz SJBBSYSFKAQKKC-TZMCWYRMSA-N 1 1 397.397 3.901 10 0 GHAEMO COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](c4nncn4C(C)C)C3)n2)cc1 ZINC000245525960 888844913 /nfs/dbraw/zinc/84/49/13/888844913.db2.gz BSICIRYEEKVTPW-WBVHZDCISA-N 1 1 396.495 3.858 10 0 GHAEMO COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](c4nncn4C(C)C)C3)n2)cc1 ZINC000245525960 888844925 /nfs/dbraw/zinc/84/49/25/888844925.db2.gz BSICIRYEEKVTPW-WBVHZDCISA-N 1 1 396.495 3.858 10 0 GHAEMO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(OC)cc1 ZINC000245839649 889837615 /nfs/dbraw/zinc/83/76/15/889837615.db2.gz JKTILJNYJOKNES-WTNAPCKOSA-N 1 1 381.520 3.611 10 0 GHAEMO CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1 ZINC000245979376 890123080 /nfs/dbraw/zinc/12/30/80/890123080.db2.gz GORVPKZAWZFVGZ-CTNGQTDRSA-N 1 1 395.551 3.696 10 0 GHAEMO CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1 ZINC000245979376 890123084 /nfs/dbraw/zinc/12/30/84/890123084.db2.gz GORVPKZAWZFVGZ-CTNGQTDRSA-N 1 1 395.551 3.696 10 0 GHAEMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000246053551 890261099 /nfs/dbraw/zinc/26/10/99/890261099.db2.gz WLGUBQGEBUZYCZ-JXFKEZNVSA-N 1 1 393.959 3.527 10 0 GHAEMO O=C(NC1CC[NH+](Cc2cc(Cl)cc3c2OCOC3)CC1)C1CCCCC1 ZINC000065963883 890394408 /nfs/dbraw/zinc/39/44/08/890394408.db2.gz YHIXMZCTFAUFGB-UHFFFAOYSA-N 1 1 392.927 3.867 10 0 GHAEMO COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247184350 891352836 /nfs/dbraw/zinc/35/28/36/891352836.db2.gz KPOOWBXMNBOEIG-DBXWQHBBSA-N 1 1 381.520 3.611 10 0 GHAEMO Cc1cccc2c(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c[nH]c21 ZINC000247518911 891381268 /nfs/dbraw/zinc/38/12/68/891381268.db2.gz WHFBVTBNBWITEM-XMSQKQJNSA-N 1 1 390.531 3.831 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)CC[C@H]21 ZINC000247959849 891402080 /nfs/dbraw/zinc/40/20/80/891402080.db2.gz GCIBMSORENJAJQ-TZIWHRDSSA-N 1 1 398.551 3.651 10 0 GHAEMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C1 ZINC000248519145 891424041 /nfs/dbraw/zinc/42/40/41/891424041.db2.gz AWRXPQZXVNTHRS-SUMWQHHRSA-N 1 1 377.460 3.645 10 0 GHAEMO O=C1O[C@H](C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CN1c1ccccc1 ZINC000248409243 891432621 /nfs/dbraw/zinc/43/26/21/891432621.db2.gz CNKOJGVBYSVMTJ-HZPDHXFCSA-N 1 1 394.397 3.564 10 0 GHAEMO C[N@H+]1CC[C@@H](CNC(=O)CCc2ccc(O)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248870272 891476735 /nfs/dbraw/zinc/47/67/35/891476735.db2.gz JSJQLRAXICMGMH-HRAATJIYSA-N 1 1 390.886 3.927 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000249427776 891506273 /nfs/dbraw/zinc/50/62/73/891506273.db2.gz IZUNBLUDYLZHBK-FHLIZLRMSA-N 1 1 398.473 3.712 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(Cc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)CC[C@H]21 ZINC000253553669 891880114 /nfs/dbraw/zinc/88/01/14/891880114.db2.gz GWEUAEZOZAHIRB-FUHWJXTLSA-N 1 1 394.544 3.980 10 0 GHAEMO CCc1ccc(C(=O)Nc2sccc2C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000252443733 892368719 /nfs/dbraw/zinc/36/87/19/892368719.db2.gz NWJZEQNNVWNWSP-QAPCUYQASA-N 1 1 397.544 3.872 10 0 GHAEMO Cc1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cs1 ZINC000189775110 908374786 /nfs/dbraw/zinc/37/47/86/908374786.db2.gz XHBLOYHXCFGKQQ-IBGZPJMESA-N 1 1 398.532 3.744 10 0 GHAEMO Fc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c1 ZINC000012308756 221180255 /nfs/dbraw/zinc/18/02/55/221180255.db2.gz CZSOSBDNYYVIKA-IBGZPJMESA-N 1 1 394.450 3.817 10 0 GHAEMO COc1ccc([C@@H]2C[C@H]3CN(c4cccc(OC)c4)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000012459663 221198842 /nfs/dbraw/zinc/19/88/42/221198842.db2.gz APHPLXBGDCNRMZ-HYVJGQCMSA-N 1 1 378.472 3.646 10 0 GHAEMO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]2N1Cc1ccc2c(c1)OCO2 ZINC000015008391 221326610 /nfs/dbraw/zinc/32/66/10/221326610.db2.gz MLBHFDPZDKUCAA-QUCCMNQESA-N 1 1 396.462 3.568 10 0 GHAEMO Cc1csc(C2CC[NH+]([C@@H](C)C(=O)N[C@H]3CCOc4ccccc43)CC2)n1 ZINC000156679897 834499537 /nfs/dbraw/zinc/49/95/37/834499537.db2.gz HOAYTYGQNBRRKD-YJBOKZPZSA-N 1 1 385.533 3.659 10 0 GHAEMO CSc1ccc(O[C@H](C)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000157742077 835079412 /nfs/dbraw/zinc/07/94/12/835079412.db2.gz LCGHNGCLEDTHIY-MRXNPFEDSA-N 1 1 385.533 3.664 10 0 GHAEMO Cc1cc(C2CCN(C(=O)[C@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)CC2)[nH]n1 ZINC000328608961 836502622 /nfs/dbraw/zinc/50/26/22/836502622.db2.gz MHCPVEDGEUIJFS-QPPBQGQZSA-N 1 1 392.547 3.726 10 0 GHAEMO Cc1cc(C2CCN(C(=O)[C@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)CC2)n[nH]1 ZINC000328608961 836502629 /nfs/dbraw/zinc/50/26/29/836502629.db2.gz MHCPVEDGEUIJFS-QPPBQGQZSA-N 1 1 392.547 3.726 10 0 GHAEMO Cc1cc(C2CCN(C(=O)[C@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)CC2)n[nH]1 ZINC000328608961 836502638 /nfs/dbraw/zinc/50/26/38/836502638.db2.gz MHCPVEDGEUIJFS-QPPBQGQZSA-N 1 1 392.547 3.726 10 0 GHAEMO CCCc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)[C@@H](COC)c3ccccn3)cc2)n1 ZINC000023428776 837073031 /nfs/dbraw/zinc/07/30/31/837073031.db2.gz SBKIVOLPUNTTJC-NRFANRHFSA-N 1 1 392.503 3.604 10 0 GHAEMO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000249772896 837094852 /nfs/dbraw/zinc/09/48/52/837094852.db2.gz LUJNPFBGYZGECR-SJORKVTESA-N 1 1 375.513 3.581 10 0 GHAEMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332742340 844528274 /nfs/dbraw/zinc/52/82/74/844528274.db2.gz HZYLDAWLUSAHRS-HFMPRLQTSA-N 1 1 399.579 3.624 10 0 GHAEMO C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)[C@H](C)C1 ZINC000332795201 844555193 /nfs/dbraw/zinc/55/51/93/844555193.db2.gz LZPLUNYVDUHRDI-UDMCKFQASA-N 1 1 394.563 3.577 10 0 GHAEMO CC[C@@H](c1nnc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1)c1ccccc1 ZINC000106952220 841158006 /nfs/dbraw/zinc/15/80/06/841158006.db2.gz IINLUJZIWFCBOV-IAGOWNOFSA-N 1 1 385.537 3.782 10 0 GHAEMO CC[C@@H](c1nnc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)s1)c1ccccc1 ZINC000106952220 841158009 /nfs/dbraw/zinc/15/80/09/841158009.db2.gz IINLUJZIWFCBOV-IAGOWNOFSA-N 1 1 385.537 3.782 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2occc2COc2ccccc2)CC1 ZINC000162453972 843255136 /nfs/dbraw/zinc/25/51/36/843255136.db2.gz WKKALQCKMXYEEB-UHFFFAOYSA-N 1 1 379.460 3.687 10 0 GHAEMO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000152176917 846342530 /nfs/dbraw/zinc/34/25/30/846342530.db2.gz VZANZUNMGBTIIA-JXFKEZNVSA-N 1 1 376.504 3.820 10 0 GHAEMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2c(Cl)n(C)nc2C(C)C)CC1 ZINC000153283013 848343349 /nfs/dbraw/zinc/34/33/49/848343349.db2.gz QXLKFQMZKWCKMH-UHFFFAOYSA-N 1 1 388.943 3.900 10 0 GHAEMO COc1ccc(CCCC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c(OC)c1 ZINC000155154198 849464713 /nfs/dbraw/zinc/46/47/13/849464713.db2.gz MAKZWQLTPHPKTP-UHFFFAOYSA-N 1 1 397.519 3.515 10 0 GHAEMO Cc1ccc(Br)c(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329683628 862053326 /nfs/dbraw/zinc/05/33/26/862053326.db2.gz TVVWHDLCTQEGAI-PBHICJAKSA-N 1 1 378.270 3.733 10 0 GHAEMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526162 853138199 /nfs/dbraw/zinc/13/81/99/853138199.db2.gz FRRKIMATOHZUGU-LEWJYISDSA-N 1 1 395.551 3.576 10 0 GHAEMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526162 853138200 /nfs/dbraw/zinc/13/82/00/853138200.db2.gz FRRKIMATOHZUGU-LEWJYISDSA-N 1 1 395.551 3.576 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc[nH+]c(N[C@H]2CCCO[C@@H]2C(C)C)n1 ZINC000330126401 862598021 /nfs/dbraw/zinc/59/80/21/862598021.db2.gz IRVNQQQUESZVHC-BBTUJRGHSA-N 1 1 398.555 3.784 10 0 GHAEMO Cc1nc2cc(NC(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2o1 ZINC000103319153 856122733 /nfs/dbraw/zinc/12/27/33/856122733.db2.gz GKOHTDQVIRAIBH-SFHVURJKSA-N 1 1 378.476 3.822 10 0 GHAEMO Cc1cc([C@H]2CCCN2C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)on1 ZINC000067569881 856556745 /nfs/dbraw/zinc/55/67/45/856556745.db2.gz IFTHPKOTLSMZDZ-WOJBJXKFSA-N 1 1 382.508 3.884 10 0 GHAEMO Cc1csc([C@H]2CCC[N@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)n1 ZINC000171236225 860423918 /nfs/dbraw/zinc/42/39/18/860423918.db2.gz PXBTUBGCUYCRAW-AWEZNQCLSA-N 1 1 384.461 3.610 10 0 GHAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)n1 ZINC000171236225 860423922 /nfs/dbraw/zinc/42/39/22/860423922.db2.gz 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CCc1ccc(CNC(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000171905283 882177949 /nfs/dbraw/zinc/17/79/49/882177949.db2.gz RIWIZAJZNIAPKQ-UHFFFAOYSA-N 1 1 384.524 3.565 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)CC2)[nH+]1 ZINC000172316844 882197964 /nfs/dbraw/zinc/19/79/64/882197964.db2.gz FBTRHAVTAQYRJO-UHFFFAOYSA-N 1 1 393.516 3.637 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N3CC=C(c4ccc(O)cc4)CC3)CC2)[nH+]c1 ZINC000173371364 882356962 /nfs/dbraw/zinc/35/69/62/882356962.db2.gz SBOUSEJDTNDFRW-UHFFFAOYSA-N 1 1 392.503 3.563 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000116251278 873370384 /nfs/dbraw/zinc/37/03/84/873370384.db2.gz GAFGGGULUMUSKF-FEGHXTNJSA-N 1 1 383.923 3.865 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000116569533 873567273 /nfs/dbraw/zinc/56/72/73/873567273.db2.gz KVTMUFJGXXUWFO-XXBNENTESA-N 1 1 390.531 3.791 10 0 GHAEMO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)cc1 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384.915 3.773 10 0 GHAEMO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000186243902 883625095 /nfs/dbraw/zinc/62/50/95/883625095.db2.gz XVWKXGVPFLXDDZ-FOIQADDNSA-N 1 1 381.501 3.750 10 0 GHAEMO Cn1c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccccc2c1=O ZINC000114481446 886313475 /nfs/dbraw/zinc/31/34/75/886313475.db2.gz KUSRFKQLENVTAL-GOSISDBHSA-N 1 1 399.498 3.703 10 0 GHAEMO Cn1c(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccccc2c1=O ZINC000114481446 886313487 /nfs/dbraw/zinc/31/34/87/886313487.db2.gz KUSRFKQLENVTAL-GOSISDBHSA-N 1 1 399.498 3.703 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccc2ccccc2c1 ZINC000116250337 886358376 /nfs/dbraw/zinc/35/83/76/886358376.db2.gz BRBVMLPYTZJIIA-JPYJTQIMSA-N 1 1 389.499 3.640 10 0 GHAEMO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)c2)n1 ZINC000120998127 886536238 /nfs/dbraw/zinc/53/62/38/886536238.db2.gz OLJJYECWXKHXQD-QGZVFWFLSA-N 1 1 398.507 3.675 10 0 GHAEMO 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XYAPJNFXVVTUCY-DYVFJYSZSA-N 1 1 390.578 3.806 10 0 GHAEMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cn(C)c2ccccc12 ZINC000185436692 1014579126 /nfs/dbraw/zinc/57/91/26/1014579126.db2.gz KWXMLZITHQCSMS-SPEDKVCISA-N 1 1 390.531 3.704 10 0 GHAEMO C/C=C(\C)C(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2OC)C1 ZINC000012131450 221157135 /nfs/dbraw/zinc/15/71/35/221157135.db2.gz KPIPPRSOWAJMEQ-JXGOEDKJSA-N 1 1 380.488 3.713 10 0 GHAEMO C/C=C(\C)C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2OC)C1 ZINC000012131450 221157136 /nfs/dbraw/zinc/15/71/36/221157136.db2.gz KPIPPRSOWAJMEQ-JXGOEDKJSA-N 1 1 380.488 3.713 10 0 GHAEMO Cn1nc(C(=O)NCc2ccccc2)c2c1CC[N@H+](Cc1ccccc1Cl)C2 ZINC000014745788 221315564 /nfs/dbraw/zinc/31/55/64/221315564.db2.gz GXRQRTSSTWGCFD-UHFFFAOYSA-N 1 1 394.906 3.562 10 0 GHAEMO Cn1nc(C(=O)NCc2ccccc2)c2c1CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000014745788 221315567 /nfs/dbraw/zinc/31/55/67/221315567.db2.gz GXRQRTSSTWGCFD-UHFFFAOYSA-N 1 1 394.906 3.562 10 0 GHAEMO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000105991832 837673614 /nfs/dbraw/zinc/67/36/14/837673614.db2.gz IHOFEFDWDDEYIN-CXAGYDPISA-N 1 1 383.439 3.775 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)[nH+]1 ZINC000156618303 834474361 /nfs/dbraw/zinc/47/43/61/834474361.db2.gz DIIIAADDEZLSAE-UHFFFAOYSA-N 1 1 381.524 3.863 10 0 GHAEMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc(C)cs3)CC2)c1 ZINC000156681159 834500570 /nfs/dbraw/zinc/50/05/70/834500570.db2.gz QGTHPELOMOZJRJ-CQSZACIVSA-N 1 1 386.521 3.617 10 0 GHAEMO O=C(Nc1ccc2c(c1)CCC(=O)N2)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000329405128 834985663 /nfs/dbraw/zinc/98/56/63/834985663.db2.gz AOPMIZKHDARIFH-DVECYGJZSA-N 1 1 389.499 3.812 10 0 GHAEMO CC(=O)c1cccc(OCCCC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000157783903 835092168 /nfs/dbraw/zinc/09/21/68/835092168.db2.gz KPKCGFWGJHWXMZ-UHFFFAOYSA-N 1 1 395.503 3.537 10 0 GHAEMO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)c1 ZINC000246937819 835142388 /nfs/dbraw/zinc/14/23/88/835142388.db2.gz AYGJKXXTEGDCPM-HIFRSBDPSA-N 1 1 387.484 3.604 10 0 GHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)c1 ZINC000246937819 835142395 /nfs/dbraw/zinc/14/23/95/835142395.db2.gz AYGJKXXTEGDCPM-HIFRSBDPSA-N 1 1 387.484 3.604 10 0 GHAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000329626318 835462417 /nfs/dbraw/zinc/46/24/17/835462417.db2.gz GQSZYOBQJGAVEO-MAUKXSAKSA-N 1 1 383.517 3.699 10 0 GHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000247874629 844097099 /nfs/dbraw/zinc/09/70/99/844097099.db2.gz YGODEKVHMBNXTO-SFTDATJTSA-N 1 1 380.536 3.758 10 0 GHAEMO COCCc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)cn1 ZINC000023399120 836951611 /nfs/dbraw/zinc/95/16/11/836951611.db2.gz CJKAYQZQHMWVLW-HSZRJFAPSA-N 1 1 386.584 3.534 10 0 GHAEMO O=C(Nc1cccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1)C1CCCCC1 ZINC000177328334 837894210 /nfs/dbraw/zinc/89/42/10/837894210.db2.gz PKWZAPOJZMERSK-HXUWFJFHSA-N 1 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USISTBDTERIXDY-DOMZBBRYSA-N 1 1 383.427 3.995 10 0 GHAEMO Cn1nccc1[C@H]1[C@H](CNc2ncnc3sc4c(c32)CCCC4)CCC[N@H+]1C ZINC000329180493 861112453 /nfs/dbraw/zinc/11/24/53/861112453.db2.gz DLZNRMAOXBDNME-IFXJQAMLSA-N 1 1 396.564 3.799 10 0 GHAEMO COc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000103185338 863906838 /nfs/dbraw/zinc/90/68/38/863906838.db2.gz MPGBXNGEPSRMTK-IEBWSBKVSA-N 1 1 399.510 3.759 10 0 GHAEMO COc1ccccc1CCN(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000103859983 864099613 /nfs/dbraw/zinc/09/96/13/864099613.db2.gz SVIWIMZQPZEMJV-KDURUIRLSA-N 1 1 375.557 3.637 10 0 GHAEMO O=C(Nc1ccccc1)c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000105024674 866236749 /nfs/dbraw/zinc/23/67/49/866236749.db2.gz SZSXZIDTDXDKJA-FQEVSTJZSA-N 1 1 378.476 3.641 10 0 GHAEMO Cc1c(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)sc2cccc(F)c12 ZINC000173280818 882346057 /nfs/dbraw/zinc/34/60/57/882346057.db2.gz ZYILRSOWPQFIJY-INIZCTEOSA-N 1 1 389.540 3.591 10 0 GHAEMO 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873366190 /nfs/dbraw/zinc/36/61/90/873366190.db2.gz JGMPHRVBCXQLLD-HTAPYJJXSA-N 1 1 390.531 3.695 10 0 GHAEMO COc1ccc(SCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116245123 873366266 /nfs/dbraw/zinc/36/62/66/873366266.db2.gz IMSYVRWXJZKMKK-UTKZUKDTSA-N 1 1 399.560 3.599 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000116246702 873367864 /nfs/dbraw/zinc/36/78/64/873367864.db2.gz PWOORFOUMOKISS-LIRRHRJNSA-N 1 1 392.330 3.958 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1OC(F)F ZINC000116477383 873512929 /nfs/dbraw/zinc/51/29/29/873512929.db2.gz LUVKURUITHQFFM-HOCLYGCPSA-N 1 1 390.434 3.715 10 0 GHAEMO CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000116478972 873513119 /nfs/dbraw/zinc/51/31/19/873513119.db2.gz NYIXLWBIMPVLGO-LPHOPBHVSA-N 1 1 398.507 3.521 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000116484682 873514919 /nfs/dbraw/zinc/51/49/19/873514919.db2.gz OPYBTUDEHJSNEN-KSSFIOAISA-N 1 1 390.434 3.715 10 0 GHAEMO CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000116488805 873515878 /nfs/dbraw/zinc/51/58/78/873515878.db2.gz NXOCGEPHAPESDW-UWJYYQICSA-N 1 1 382.508 3.821 10 0 GHAEMO Cc1cc(N2CCC(NC(=O)N3CC=C(c4cccs4)CC3)CC2)nc(C)[nH+]1 ZINC000176888830 882747148 /nfs/dbraw/zinc/74/71/48/882747148.db2.gz VKSAOMGTVYKDFN-UHFFFAOYSA-N 1 1 397.548 3.623 10 0 GHAEMO Cc1nc(-c2cccc(NC(=O)NC3CCN(c4cccc(C)[nH+]4)CC3)c2)no1 ZINC000117003636 873846649 /nfs/dbraw/zinc/84/66/49/873846649.db2.gz QKXSPIMEBYNISV-UHFFFAOYSA-N 1 1 392.463 3.539 10 0 GHAEMO Cc1nn(-c2ccccc2)cc1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000183727591 883283560 /nfs/dbraw/zinc/28/35/60/883283560.db2.gz STNDNOBJENFBJC-UHFFFAOYSA-N 1 1 390.491 3.675 10 0 GHAEMO Cc1c([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000186652404 883683146 /nfs/dbraw/zinc/68/31/46/883683146.db2.gz AUXOFEIIYPREME-OYHNWAKOSA-N 1 1 390.466 3.889 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000187201721 883766256 /nfs/dbraw/zinc/76/62/56/883766256.db2.gz URKQLKOBZOYFKI-KRWDZBQOSA-N 1 1 394.441 3.730 10 0 GHAEMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000102695941 884281637 /nfs/dbraw/zinc/28/16/37/884281637.db2.gz MXFBYTDNUZDSAG-KGLIPLIRSA-N 1 1 376.884 3.885 10 0 GHAEMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3nc(-c4ccoc4)no3)C2)cc1 ZINC000105609099 884821167 /nfs/dbraw/zinc/82/11/67/884821167.db2.gz JBFQNBZMWHWJEO-INIZCTEOSA-N 1 1 395.463 3.672 10 0 GHAEMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3nc(-c4ccoc4)no3)C2)cc1 ZINC000105609099 884821176 /nfs/dbraw/zinc/82/11/76/884821176.db2.gz JBFQNBZMWHWJEO-INIZCTEOSA-N 1 1 395.463 3.672 10 0 GHAEMO O=c1[nH]c(CC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccccc21 ZINC000114481702 886313685 /nfs/dbraw/zinc/31/36/85/886313685.db2.gz IVMMKUPOMLLBEM-SFHVURJKSA-N 1 1 399.498 3.735 10 0 GHAEMO Cc1cccc(CSCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116251432 886357197 /nfs/dbraw/zinc/35/71/97/886357197.db2.gz LENADAWMGFEWLA-RXVVDRJESA-N 1 1 383.561 3.650 10 0 GHAEMO CC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000116522791 886363765 /nfs/dbraw/zinc/36/37/65/886363765.db2.gz WQAMGSPDQJNMPO-HSQYWUDLSA-N 1 1 396.535 3.751 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000127936299 887125195 /nfs/dbraw/zinc/12/51/95/887125195.db2.gz YSGWJZFLIVHREZ-VGSWGCGISA-N 1 1 375.472 3.982 10 0 GHAEMO Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C3CC3)CC2)c1 ZINC000061605194 888492471 /nfs/dbraw/zinc/49/24/71/888492471.db2.gz SRCVWRZWPPJRKK-UHFFFAOYSA-N 1 1 377.488 3.558 10 0 GHAEMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195346672 888681414 /nfs/dbraw/zinc/68/14/14/888681414.db2.gz ISZGXCLJLVNGFU-KGLIPLIRSA-N 1 1 381.509 3.595 10 0 GHAEMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195346672 888681419 /nfs/dbraw/zinc/68/14/19/888681419.db2.gz ISZGXCLJLVNGFU-KGLIPLIRSA-N 1 1 381.509 3.595 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCCC[C@H]1c1cccn1C ZINC000245426922 888748882 /nfs/dbraw/zinc/74/88/82/888748882.db2.gz GRZQOHRVFXAFOC-UZKOGDIHSA-N 1 1 395.551 3.567 10 0 GHAEMO CCOC[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245650910 889165214 /nfs/dbraw/zinc/16/52/14/889165214.db2.gz CHLJEBVAQWRZGR-ALKREAHSSA-N 1 1 397.922 3.540 10 0 GHAEMO O[C@H](C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1ccccc1C(F)(F)F ZINC000245781909 889713075 /nfs/dbraw/zinc/71/30/75/889713075.db2.gz VDUODJYOLLEXBO-CZUORRHYSA-N 1 1 380.414 3.614 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000245852708 889867059 /nfs/dbraw/zinc/86/70/59/889867059.db2.gz DBLJHOARZYDERN-OXJNMPFZSA-N 1 1 391.475 3.769 10 0 GHAEMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 ZINC000068271094 891173585 /nfs/dbraw/zinc/17/35/85/891173585.db2.gz DOMZJTCUEOMQID-FQEVSTJZSA-N 1 1 397.544 3.646 10 0 GHAEMO 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SPVHCIMZBKKXJK-FXAWDEMLSA-N 1 1 398.482 3.639 10 0 GHAEMO Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1C(=O)NC(C)C ZINC000246215930 890710257 /nfs/dbraw/zinc/71/02/57/890710257.db2.gz XWLXXHQRKHXJQQ-GCJKJVERSA-N 1 1 380.536 3.851 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000246285065 890941306 /nfs/dbraw/zinc/94/13/06/890941306.db2.gz ADVUZFGGEUIWBC-DNVCBOLYSA-N 1 1 394.450 3.516 10 0 GHAEMO COc1ccc([C@H](C)CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246334300 891030790 /nfs/dbraw/zinc/03/07/90/891030790.db2.gz KUBDCAQRAHKUJS-KGVIQGDOSA-N 1 1 381.520 3.611 10 0 GHAEMO Cc1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000246704116 891300324 /nfs/dbraw/zinc/30/03/24/891300324.db2.gz NCGKWLFLNIBAGN-MSOLQXFVSA-N 1 1 375.925 3.812 10 0 GHAEMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1F ZINC000246803679 891308830 /nfs/dbraw/zinc/30/88/30/891308830.db2.gz BDUUBNDCLURSGM-AUSJPIAWSA-N 1 1 388.462 3.631 10 0 GHAEMO 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RNLJNWOXUSLMII-UIFIKXQLSA-N 1 1 397.519 3.529 10 0 GHAEMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)c1nccs1 ZINC000248590186 891441697 /nfs/dbraw/zinc/44/16/97/891441697.db2.gz RCVYGAIETPYYTE-HKUYNNGSSA-N 1 1 386.565 3.800 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)c(Cl)c1F ZINC000248898893 891480127 /nfs/dbraw/zinc/48/01/27/891480127.db2.gz VXURPDLDKPUBOA-MLGOLLRUSA-N 1 1 379.838 3.654 10 0 GHAEMO CCOCCC[N@H+]1CC[C@H](NCc2nnc(-c3ccccc3Cl)o2)[C@@H](C)C1 ZINC000249451727 891507767 /nfs/dbraw/zinc/50/77/67/891507767.db2.gz OPVOTYPPPABLHB-YJBOKZPZSA-N 1 1 392.931 3.617 10 0 GHAEMO CCCOc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(C)c1 ZINC000079549161 892417613 /nfs/dbraw/zinc/41/76/13/892417613.db2.gz BGROYDLFDCFAPQ-KRWDZBQOSA-N 1 1 375.513 3.501 10 0 GHAEMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000011937505 221138480 /nfs/dbraw/zinc/13/84/80/221138480.db2.gz JPUVBIVZUPSAKN-HXUWFJFHSA-N 1 1 376.504 3.549 10 0 GHAEMO 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LZPLUNYVDUHRDI-HLSZOSTASA-N 1 1 394.563 3.577 10 0 GHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000106208064 840761300 /nfs/dbraw/zinc/76/13/00/840761300.db2.gz YGODEKVHMBNXTO-NHCUHLMSSA-N 1 1 380.536 3.758 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)c(C)c3)C2)c1 ZINC000106222746 840805685 /nfs/dbraw/zinc/80/56/85/840805685.db2.gz PQPCZXLACUJXGL-MRXNPFEDSA-N 1 1 391.313 3.538 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)c(C)c3)C2)c1 ZINC000106222746 840805696 /nfs/dbraw/zinc/80/56/96/840805696.db2.gz PQPCZXLACUJXGL-MRXNPFEDSA-N 1 1 391.313 3.538 10 0 GHAEMO Oc1cccc(C[N@@H+](Cc2nc(-c3ccsc3)no2)C2CCC(O)CC2)c1 ZINC000109326860 841645874 /nfs/dbraw/zinc/64/58/74/841645874.db2.gz RRGRCJTUIXEZEW-UHFFFAOYSA-N 1 1 385.489 3.809 10 0 GHAEMO Oc1cccc(C[N@H+](Cc2nc(-c3ccsc3)no2)C2CCC(O)CC2)c1 ZINC000109326860 841645886 /nfs/dbraw/zinc/64/58/86/841645886.db2.gz RRGRCJTUIXEZEW-UHFFFAOYSA-N 1 1 385.489 3.809 10 0 GHAEMO 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CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC000329536618 861608686 /nfs/dbraw/zinc/60/86/86/861608686.db2.gz BECMTELBAYRLTM-RLLQIKCJSA-N 1 1 395.551 3.750 10 0 GHAEMO COc1cc(C[N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1SC ZINC000101547117 851669711 /nfs/dbraw/zinc/66/97/11/851669711.db2.gz QRILWBGBWKEAKP-AWEZNQCLSA-N 1 1 390.471 3.650 10 0 GHAEMO COc1cc(C[N@@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1SC ZINC000101547117 851669718 /nfs/dbraw/zinc/66/97/18/851669718.db2.gz QRILWBGBWKEAKP-AWEZNQCLSA-N 1 1 390.471 3.650 10 0 GHAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000329746438 862287257 /nfs/dbraw/zinc/28/72/57/862287257.db2.gz YUUYBGYTPLKQGK-MAUKXSAKSA-N 1 1 382.508 3.634 10 0 GHAEMO CC(C)[N@@H+](C)CCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000101953960 852070236 /nfs/dbraw/zinc/07/02/36/852070236.db2.gz FQGPUDQTRUZLNE-UHFFFAOYSA-N 1 1 394.441 3.839 10 0 GHAEMO Fc1ccc2c(c1)[C@H]([N@H+]1C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C1)CC2 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/nfs/dbraw/zinc/98/52/66/860985266.db2.gz USISTBDTERIXDY-WFASDCNBSA-N 1 1 383.427 3.995 10 0 GHAEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000103285807 863939556 /nfs/dbraw/zinc/93/95/56/863939556.db2.gz ZWIDGHALHOPFSR-NVXWUHKLSA-N 1 1 396.922 3.824 10 0 GHAEMO COc1ccc(-c2nc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)cs2)cc1OC ZINC000178123239 864532912 /nfs/dbraw/zinc/53/29/12/864532912.db2.gz GDOYSBNQSAVVFQ-IIBYNOLFSA-N 1 1 388.533 3.954 10 0 GHAEMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000104680701 864541866 /nfs/dbraw/zinc/54/18/66/864541866.db2.gz NWGLEVMCGXCPRB-ZDUSSCGKSA-N 1 1 385.321 3.961 10 0 GHAEMO COc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1Cn1cccn1 ZINC000168016221 865085782 /nfs/dbraw/zinc/08/57/82/865085782.db2.gz VAVKJNDMBIOICI-APWZRJJASA-N 1 1 394.523 3.841 10 0 GHAEMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000268811663 867814295 /nfs/dbraw/zinc/81/42/95/867814295.db2.gz OMIKVWIFAKWQNQ-NPPFBWRTSA-N 1 1 386.561 3.651 10 0 GHAEMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000268811663 867814312 /nfs/dbraw/zinc/81/43/12/867814312.db2.gz OMIKVWIFAKWQNQ-NPPFBWRTSA-N 1 1 386.561 3.651 10 0 GHAEMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000172194833 882175940 /nfs/dbraw/zinc/17/59/40/882175940.db2.gz XBRXINSHSVQLAP-WWMYMODYSA-N 1 1 384.499 3.834 10 0 GHAEMO CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000172193631 882176168 /nfs/dbraw/zinc/17/61/68/882176168.db2.gz CFCYZARPFAYZHV-SIKLNZKXSA-N 1 1 380.536 3.566 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)NCc3coc(-c4ccccc4)n3)CC2)[nH+]c1 ZINC000173377973 882356727 /nfs/dbraw/zinc/35/67/27/882356727.db2.gz OLIIKLVVMOYVRT-UHFFFAOYSA-N 1 1 391.475 3.513 10 0 GHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1nnc(-c3ccccc3Br)o1)CC2 ZINC000247972018 870250987 /nfs/dbraw/zinc/25/09/87/870250987.db2.gz JRTMVFHEIYXVPR-SCLBCKFNSA-N 1 1 392.297 3.626 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)CC2)[nH+]c1 ZINC000174587506 882484058 /nfs/dbraw/zinc/48/40/58/882484058.db2.gz PKMWNVWYUVCOBI-IFMALSPDSA-N 1 1 394.519 3.578 10 0 GHAEMO Cc1occc1C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101900196 872354072 /nfs/dbraw/zinc/35/40/72/872354072.db2.gz GVPKKCUEOCCEKP-UHFFFAOYSA-N 1 1 375.472 3.640 10 0 GHAEMO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116486378 873514288 /nfs/dbraw/zinc/51/42/88/873514288.db2.gz WBSVZMGZXMQEDM-UTKZUKDTSA-N 1 1 382.508 3.901 10 0 GHAEMO CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000116488802 873515678 /nfs/dbraw/zinc/51/56/78/873515678.db2.gz NXOCGEPHAPESDW-LAUBAEHRSA-N 1 1 382.508 3.821 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)CSc3ccc(F)c(F)c3)CC2)[nH+]1 ZINC000116668266 873614085 /nfs/dbraw/zinc/61/40/85/873614085.db2.gz FQPCOIBXFJXDHP-UHFFFAOYSA-N 1 1 377.460 3.546 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)[C@H]3CCCO[C@@H]3c3ccccc3)CC2)[nH+]1 ZINC000116666596 873614182 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ZINC000247191571 891353381 /nfs/dbraw/zinc/35/33/81/891353381.db2.gz LENADAWMGFEWLA-NQIIRXRSSA-N 1 1 383.561 3.650 10 0 GHAEMO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000247300796 891363932 /nfs/dbraw/zinc/36/39/32/891363932.db2.gz URVHLHNDMBEDTI-PCCBWWKXSA-N 1 1 387.568 3.596 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCc4ccccn4)c(F)c3)CC[C@H]21 ZINC000247934301 891400344 /nfs/dbraw/zinc/40/03/44/891400344.db2.gz CHCLPHXGCNEXPI-OXJNMPFZSA-N 1 1 398.482 3.748 10 0 GHAEMO COc1ccc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cs2)c(OC)c1 ZINC000247934295 891400370 /nfs/dbraw/zinc/40/03/70/891400370.db2.gz CGZMJFRXNHZTBM-DNVCBOLYSA-N 1 1 387.549 3.743 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(NC(=O)Nc4ccccc4)s3)CC[C@H]21 ZINC000248151893 891412885 /nfs/dbraw/zinc/41/28/85/891412885.db2.gz QVNLVWJAECZYEL-NVXWUHKLSA-N 1 1 398.532 3.948 10 0 GHAEMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C1 ZINC000248519143 891423705 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10 0 GHAEMO Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)o1 ZINC000012193568 221165346 /nfs/dbraw/zinc/16/53/46/221165346.db2.gz XKRSTUMIPSUWEM-OAHLLOKOSA-N 1 1 399.539 3.700 10 0 GHAEMO CCn1ccnc1C[NH+]1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 ZINC000012433798 221193621 /nfs/dbraw/zinc/19/36/21/221193621.db2.gz LSGBMCQNNUKQIL-UHFFFAOYSA-N 1 1 381.442 3.739 10 0 GHAEMO CCc1cc(OC)c(OC)cc1[C@@H]1CC2(OCCO2)[C@H]2CCCC[C@H]2[N@H+]1C ZINC000252257179 570727308 /nfs/dbraw/zinc/72/73/08/570727308.db2.gz NDHIZGXRKXDSMH-OTWHNJEPSA-N 1 1 375.509 3.945 10 0 GHAEMO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(n2cncn2)CC1 ZINC000156576948 834439203 /nfs/dbraw/zinc/43/92/03/834439203.db2.gz FJMMYLQDZREHKO-QGZVFWFLSA-N 1 1 391.475 3.735 10 0 GHAEMO CC(C)N(C)c1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1F ZINC000157193857 834796738 /nfs/dbraw/zinc/79/67/38/834796738.db2.gz NCKBRKDJSHCSTM-UHFFFAOYSA-N 1 1 387.503 3.890 10 0 GHAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000245803198 844088230 /nfs/dbraw/zinc/08/82/30/844088230.db2.gz YDAUWMQEOOCMEY-KXBFYZLASA-N 1 1 390.325 3.966 10 0 GHAEMO C[C@@H](c1nc(-c2cccs2)no1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000328752919 840254275 /nfs/dbraw/zinc/25/42/75/840254275.db2.gz NMRJNELWQURJSC-XHSDSOJGSA-N 1 1 390.553 3.680 10 0 GHAEMO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)c1 ZINC000106221974 840805953 /nfs/dbraw/zinc/80/59/53/840805953.db2.gz AYGJKXXTEGDCPM-ZFWWWQNUSA-N 1 1 387.484 3.604 10 0 GHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)c1 ZINC000106221974 840805959 /nfs/dbraw/zinc/80/59/59/840805959.db2.gz AYGJKXXTEGDCPM-ZFWWWQNUSA-N 1 1 387.484 3.604 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C2)c1 ZINC000106222894 840806088 /nfs/dbraw/zinc/80/60/88/840806088.db2.gz KFHOWTNDXBGCJD-GOSISDBHSA-N 1 1 396.491 3.509 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C2)c1 ZINC000106222894 840806099 /nfs/dbraw/zinc/80/60/99/840806099.db2.gz KFHOWTNDXBGCJD-GOSISDBHSA-N 1 1 396.491 3.509 10 0 GHAEMO Cc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1NC(=O)Nc1ccccc1 ZINC000247214225 840960927 /nfs/dbraw/zinc/96/09/27/840960927.db2.gz NQTKDPSZHXTLOK-YLJYHZDGSA-N 1 1 392.503 3.948 10 0 GHAEMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408133304 841083915 /nfs/dbraw/zinc/08/39/15/841083915.db2.gz OEZDJOZHKPJNFT-DNVFCKCGSA-N 1 1 385.552 3.647 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)/C=C/c2ccc(OC(F)F)cc2)CC1 ZINC000162524804 843261783 /nfs/dbraw/zinc/26/17/83/843261783.db2.gz ILZOISYVSSOQFX-QPJJXVBHSA-N 1 1 375.419 3.516 10 0 GHAEMO COc1ccc(-c2nc(C(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cs2)cc1 ZINC000162650638 843293863 /nfs/dbraw/zinc/29/38/63/843293863.db2.gz VXEPQVBUSINNID-UHFFFAOYSA-N 1 1 396.516 3.647 10 0 GHAEMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000329425295 861403062 /nfs/dbraw/zinc/40/30/62/861403062.db2.gz GTCSALWSIXUHHI-QUCCMNQESA-N 1 1 394.519 3.568 10 0 GHAEMO Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000155226966 849482989 /nfs/dbraw/zinc/48/29/89/849482989.db2.gz ZXGULEAHCSZAIU-MAUKXSAKSA-N 1 1 386.565 3.685 10 0 GHAEMO Cc1nc2cc(NC(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2o1 ZINC000103319158 856122427 /nfs/dbraw/zinc/12/24/27/856122427.db2.gz GKOHTDQVIRAIBH-GOSISDBHSA-N 1 1 378.476 3.822 10 0 GHAEMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000102959651 860920496 /nfs/dbraw/zinc/92/04/96/860920496.db2.gz ZJPUQHAIQNKVFJ-HXUWFJFHSA-N 1 1 395.503 3.914 10 0 GHAEMO Cc1nc(C[NH+]2CCC(CNc3cc(N4CCC[C@@H](C)C4)ncn3)CC2)oc1C ZINC000110603492 866648192 /nfs/dbraw/zinc/64/81/92/866648192.db2.gz KYESSMCNFTVOSU-MRXNPFEDSA-N 1 1 398.555 3.642 10 0 GHAEMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000172465629 882279314 /nfs/dbraw/zinc/27/93/14/882279314.db2.gz ZCTVZFRRIUHSEM-LEWJYISDSA-N 1 1 390.487 3.835 10 0 GHAEMO Cc1nc(-c2ccccc2)oc1C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000173173443 882338652 /nfs/dbraw/zinc/33/86/52/882338652.db2.gz UYMRTJPCDHEGGM-UHFFFAOYSA-N 1 1 376.460 3.752 10 0 GHAEMO CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000173378852 882357701 /nfs/dbraw/zinc/35/77/01/882357701.db2.gz UABFYDBDUMUNIS-UHFFFAOYSA-N 1 1 382.508 3.599 10 0 GHAEMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cs1 ZINC000189921231 870315263 /nfs/dbraw/zinc/31/52/63/870315263.db2.gz YRGBMUUXOHXRMV-KRWDZBQOSA-N 1 1 382.489 3.950 10 0 GHAEMO Cc1nc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cs1 ZINC000189921231 870315282 /nfs/dbraw/zinc/31/52/82/870315282.db2.gz YRGBMUUXOHXRMV-KRWDZBQOSA-N 1 1 382.489 3.950 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)[nH+]1 ZINC000173798820 882405187 /nfs/dbraw/zinc/40/51/87/882405187.db2.gz WDKBHRLYOQLZED-UHFFFAOYSA-N 1 1 378.451 3.923 10 0 GHAEMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000173989747 882400526 /nfs/dbraw/zinc/40/05/26/882400526.db2.gz GQHJUNCYMOVNOA-MRXNPFEDSA-N 1 1 389.503 3.874 10 0 GHAEMO c1csc([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)n1 ZINC000092788975 882440255 /nfs/dbraw/zinc/44/02/55/882440255.db2.gz YEQLOZXLFNNCFG-HNNXBMFYSA-N 1 1 382.489 3.684 10 0 GHAEMO COc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1OCc1cccnc1 ZINC000093691511 882598247 /nfs/dbraw/zinc/59/82/47/882598247.db2.gz PRTIGCAXYFRHDQ-OAQYLSRUSA-N 1 1 391.471 3.718 10 0 GHAEMO Cc1nc(-c2ccco2)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116247073 873367676 /nfs/dbraw/zinc/36/76/76/873367676.db2.gz LMQKTIWWKBXQBT-JXFKEZNVSA-N 1 1 390.487 3.685 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Cc3ccc(Br)s3)CC2)[nH+]1 ZINC000116668494 873614367 /nfs/dbraw/zinc/61/43/67/873614367.db2.gz GTWBYFSPWBRIOQ-UHFFFAOYSA-N 1 1 394.338 3.542 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177306802 882819700 /nfs/dbraw/zinc/81/97/00/882819700.db2.gz QIKDXMGNNBRJQM-KKSFZXQISA-N 1 1 392.503 3.633 10 0 GHAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)CCCc3ccc4ccccc4c3)C2)CC1 ZINC000181098064 883122337 /nfs/dbraw/zinc/12/23/37/883122337.db2.gz PRPZYUUADYFQIO-DEOSSOPVSA-N 1 1 393.575 3.791 10 0 GHAEMO Oc1cccc(C[N@@H+](Cc2nc(-c3ccccc3F)no2)C2CCC(O)CC2)c1 ZINC000189037474 883899409 /nfs/dbraw/zinc/89/94/09/883899409.db2.gz DBMVJSQCEIQOBT-UHFFFAOYSA-N 1 1 397.450 3.887 10 0 GHAEMO Oc1cccc(C[N@H+](Cc2nc(-c3ccccc3F)no2)C2CCC(O)CC2)c1 ZINC000189037474 883899420 /nfs/dbraw/zinc/89/94/20/883899420.db2.gz DBMVJSQCEIQOBT-UHFFFAOYSA-N 1 1 397.450 3.887 10 0 GHAEMO COc1ccc(S[C@H](C)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000116667418 886369252 /nfs/dbraw/zinc/36/92/52/886369252.db2.gz PKOQVYJZZLTUAX-MRXNPFEDSA-N 1 1 385.533 3.664 10 0 GHAEMO COc1ccccc1C/C(C)=C/C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116670944 886370115 /nfs/dbraw/zinc/37/01/15/886370115.db2.gz HSARIPHFSSFQHE-WUKNDPDISA-N 1 1 379.504 3.673 10 0 GHAEMO CCC(CC)n1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1C ZINC000245630964 889103115 /nfs/dbraw/zinc/10/31/15/889103115.db2.gz UHORNNYDUNJPKR-UZLBHIALSA-N 1 1 383.540 3.588 10 0 GHAEMO Cc1cccnc1CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245665439 889188417 /nfs/dbraw/zinc/18/84/17/889188417.db2.gz GVOIRBZRLAKODR-BEFAXECRSA-N 1 1 390.890 3.675 10 0 GHAEMO Brc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c2ncccc12 ZINC000245973583 890112141 /nfs/dbraw/zinc/11/21/41/890112141.db2.gz OHWRNZFPMGLIKM-HZPDHXFCSA-N 1 1 379.323 3.704 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000246000690 890159043 /nfs/dbraw/zinc/15/90/43/890159043.db2.gz IPNNPLQZYIFKTG-FZKQIMNGSA-N 1 1 395.400 3.880 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000246625954 891293164 /nfs/dbraw/zinc/29/31/64/891293164.db2.gz CHFQTXWWCAHYHT-YLJYHZDGSA-N 1 1 396.560 3.852 10 0 GHAEMO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1F ZINC000246718510 891299990 /nfs/dbraw/zinc/29/99/90/891299990.db2.gz NYDFRBCBOVUYTB-WHSLLNHNSA-N 1 1 387.474 3.880 10 0 GHAEMO CCCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246866773 891316595 /nfs/dbraw/zinc/31/65/95/891316595.db2.gz FEUJMNDZCFICDD-DENIHFKCSA-N 1 1 380.536 3.914 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)CCCc1ccccc1 ZINC000246863313 891318213 /nfs/dbraw/zinc/31/82/13/891318213.db2.gz FCXOBVFUJCTCFR-DENIHFKCSA-N 1 1 380.536 3.566 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCSc1ccccc1F ZINC000247097610 891344985 /nfs/dbraw/zinc/34/49/85/891344985.db2.gz FALJGLSQCKJSQE-QFBILLFUSA-N 1 1 387.524 3.730 10 0 GHAEMO Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247152763 891349777 /nfs/dbraw/zinc/34/97/77/891349777.db2.gz INANIOBPDVVWBD-IUODEOHRSA-N 1 1 395.475 3.693 10 0 GHAEMO Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247197595 891353625 /nfs/dbraw/zinc/35/36/25/891353625.db2.gz LMQKTIWWKBXQBT-OXQOHEQNSA-N 1 1 390.487 3.685 10 0 GHAEMO CNC(=O)c1ccc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000247325316 891366274 /nfs/dbraw/zinc/36/62/74/891366274.db2.gz 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ZINC000247014956 891333481 /nfs/dbraw/zinc/33/34/81/891333481.db2.gz MOIRVVBBPQNDAO-APWZRJJASA-N 1 1 382.508 3.739 10 0 GHAEMO Cc1ccccc1NC(=O)Cc1nc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000247312513 891364992 /nfs/dbraw/zinc/36/49/92/891364992.db2.gz VOLRWJNRNIAFPK-FXAWDEMLSA-N 1 1 398.576 3.549 10 0 GHAEMO Cc1ccc(C[C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247416221 891375003 /nfs/dbraw/zinc/37/50/03/891375003.db2.gz UDOSKJGFJAPXHX-GUXCAODWSA-N 1 1 386.565 3.592 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc2cccnc21 ZINC000247562419 891386541 /nfs/dbraw/zinc/38/65/41/891386541.db2.gz UZNXAGQOWPKKQM-VQIMIIECSA-N 1 1 375.476 3.662 10 0 GHAEMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@@H]1c1ccccc1 ZINC000247924198 891400571 /nfs/dbraw/zinc/40/05/71/891400571.db2.gz CHZOBXKHLVUVML-RTWAWAEBSA-N 1 1 393.531 3.524 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccccc3NC(=O)c3ccsc3)CC[C@H]21 ZINC000247992808 891405609 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381.520 3.850 10 0 GHAEMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 ZINC000012435599 221193687 /nfs/dbraw/zinc/19/36/87/221193687.db2.gz IRFCKJMRWVMXOM-OAQYLSRUSA-N 1 1 397.494 3.697 10 0 GHAEMO CCCOc1c(Br)cc(CNC[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000020968248 570288577 /nfs/dbraw/zinc/28/85/77/570288577.db2.gz JRTORPWMUBYNBI-HNNXBMFYSA-N 1 1 385.346 3.820 10 0 GHAEMO CCCOc1c(Br)cc(CNC[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000020968248 570288580 /nfs/dbraw/zinc/28/85/80/570288580.db2.gz JRTORPWMUBYNBI-HNNXBMFYSA-N 1 1 385.346 3.820 10 0 GHAEMO CCCOc1c(Br)cc(CNC[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000020968252 570288710 /nfs/dbraw/zinc/28/87/10/570288710.db2.gz JRTORPWMUBYNBI-OAHLLOKOSA-N 1 1 385.346 3.820 10 0 GHAEMO CCCOc1c(Br)cc(CNC[C@H]2CCC[N@H+]2CC)cc1OC ZINC000020968252 570288712 /nfs/dbraw/zinc/28/87/12/570288712.db2.gz JRTORPWMUBYNBI-OAHLLOKOSA-N 1 1 385.346 3.820 10 0 GHAEMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034857327 570341916 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Cn1cc[nH+]c1CC1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CC1 ZINC000157243604 834826648 /nfs/dbraw/zinc/82/66/48/834826648.db2.gz BUPQOHJUADPAAV-UHFFFAOYSA-N 1 1 398.898 3.746 10 0 GHAEMO COc1ccc(OC(C)C)c(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000157921419 835157256 /nfs/dbraw/zinc/15/72/56/835157256.db2.gz QETXZMLAEKXEFS-UHFFFAOYSA-N 1 1 386.496 3.703 10 0 GHAEMO Cc1cc(Br)cc(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329654269 835538899 /nfs/dbraw/zinc/53/88/99/835538899.db2.gz FFUXWYBNXJEPDH-YOEHRIQHSA-N 1 1 378.270 3.733 10 0 GHAEMO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CCO[C@@H]3CCCCO3)C4)n2)cc1 ZINC000328602659 836502675 /nfs/dbraw/zinc/50/26/75/836502675.db2.gz HCWQWXAVQOXLNE-WOIUINJBSA-N 1 1 383.492 3.633 10 0 GHAEMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000247593954 842958349 /nfs/dbraw/zinc/95/83/49/842958349.db2.gz JZWLOFZYVJBBAU-UXHICEINSA-N 1 1 381.524 3.701 10 0 GHAEMO Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162344829 843234180 /nfs/dbraw/zinc/23/41/80/843234180.db2.gz RIJUDKMUYFXHOM-UHFFFAOYSA-N 1 1 380.517 3.947 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)Nc3cccc(-c4nccn4C)c3)CC2)[nH+]1 ZINC000150895050 845069837 /nfs/dbraw/zinc/06/98/37/845069837.db2.gz HLRWHBJOFBMUON-UHFFFAOYSA-N 1 1 390.491 3.581 10 0 GHAEMO Brc1ccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000333867537 851790567 /nfs/dbraw/zinc/79/05/67/851790567.db2.gz TWECFWYBYHINMF-CAOSSQGBSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1ccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000333867537 851790572 /nfs/dbraw/zinc/79/05/72/851790572.db2.gz TWECFWYBYHINMF-CAOSSQGBSA-N 1 1 390.281 3.639 10 0 GHAEMO CC(C)c1nc2c(n1C)CCN(c1cc[nH+]c(N[C@H]3CCCO[C@H]3C(C)C)n1)C2 ZINC000330142898 862610983 /nfs/dbraw/zinc/61/09/83/862610983.db2.gz QUVLORMQEZVRBD-JXFKEZNVSA-N 1 1 398.555 3.512 10 0 GHAEMO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102928772 860903655 /nfs/dbraw/zinc/90/36/55/860903655.db2.gz YUURBGUGLYRGJY-IBGZPJMESA-N 1 1 380.444 3.784 10 0 GHAEMO Cc1cc(-c2noc([C@@H](C)[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)n2)ccc1F ZINC000329060957 860985059 /nfs/dbraw/zinc/98/50/59/860985059.db2.gz USISTBDTERIXDY-IUODEOHRSA-N 1 1 383.427 3.995 10 0 GHAEMO Cc1cc(-c2noc([C@@H](C)[N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)n2)ccc1F ZINC000329060957 860985069 /nfs/dbraw/zinc/98/50/69/860985069.db2.gz USISTBDTERIXDY-IUODEOHRSA-N 1 1 383.427 3.995 10 0 GHAEMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103310352 863952948 /nfs/dbraw/zinc/95/29/48/863952948.db2.gz HBCHESNMKCEEPR-MOXWOTFGSA-N 1 1 380.536 3.837 10 0 GHAEMO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NC[C@@H](O)Cc3ccccc3)c12 ZINC000103795460 864058774 /nfs/dbraw/zinc/05/87/74/864058774.db2.gz CYCFGCLGXNLKAN-SFHVURJKSA-N 1 1 376.460 3.705 10 0 GHAEMO Cc1noc(-c2cccnc2NCC2CC[NH+](Cc3csc(C)n3)CC2)n1 ZINC000301391464 865332253 /nfs/dbraw/zinc/33/22/53/865332253.db2.gz HFLIJRNWAOBYNC-UHFFFAOYSA-N 1 1 384.509 3.529 10 0 GHAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000113230421 866753006 /nfs/dbraw/zinc/75/30/06/866753006.db2.gz QJOOJENKZRNEGC-OXQOHEQNSA-N 1 1 378.476 3.639 10 0 GHAEMO C[C@@H](CNC(=O)N1CCC[C@@H](c2nccs2)C1)[N@@H+]1CCc2sccc2C1 ZINC000172224731 882188479 /nfs/dbraw/zinc/18/84/79/882188479.db2.gz YEEDHPCHEPABDT-GOEBONIOSA-N 1 1 390.578 3.540 10 0 GHAEMO C[C@@H](CNC(=O)N1CCC[C@@H](c2nccs2)C1)[N@H+]1CCc2sccc2C1 ZINC000172224731 882188486 /nfs/dbraw/zinc/18/84/86/882188486.db2.gz YEEDHPCHEPABDT-GOEBONIOSA-N 1 1 390.578 3.540 10 0 GHAEMO Cc1c2cccc(Cl)c2oc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000173284023 882345713 /nfs/dbraw/zinc/34/57/13/882345713.db2.gz WQRWMYQQCBZQQG-INIZCTEOSA-N 1 1 389.927 3.637 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2ccn(C)c2c1 ZINC000173839890 882407991 /nfs/dbraw/zinc/40/79/91/882407991.db2.gz MQCPLSNUESCYSL-UZLBHIALSA-N 1 1 377.492 3.605 10 0 GHAEMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000092706529 882420664 /nfs/dbraw/zinc/42/06/64/882420664.db2.gz CHVTXFJEOLFCSR-INIZCTEOSA-N 1 1 388.943 3.725 10 0 GHAEMO O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000105009493 870608094 /nfs/dbraw/zinc/60/80/94/870608094.db2.gz UREKXJYEHXXQQJ-HXUWFJFHSA-N 1 1 396.466 3.780 10 0 GHAEMO CCOc1ccc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1OC ZINC000174633519 882487270 /nfs/dbraw/zinc/48/72/70/882487270.db2.gz IVLNXTHMPJYKKQ-UHFFFAOYSA-N 1 1 384.480 3.588 10 0 GHAEMO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000174915267 882508233 /nfs/dbraw/zinc/50/82/33/882508233.db2.gz PYFJXZFMGLROIX-CQSZACIVSA-N 1 1 385.430 3.731 10 0 GHAEMO Cc1[nH]c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2c1C ZINC000116246596 873368270 /nfs/dbraw/zinc/36/82/70/873368270.db2.gz MVHZJSIGLFFLTQ-YCRPNKLZSA-N 1 1 376.504 3.820 10 0 GHAEMO Cc1ccc(C)c(C(=O)CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116246626 873368768 /nfs/dbraw/zinc/36/87/68/873368768.db2.gz VXLPGTIFJDJJAH-UGKGYDQZSA-N 1 1 393.531 3.688 10 0 GHAEMO Cc1ccc(C)c(C(=O)CCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116246626 873368777 /nfs/dbraw/zinc/36/87/77/873368777.db2.gz VXLPGTIFJDJJAH-UGKGYDQZSA-N 1 1 393.531 3.688 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000116251711 873369803 /nfs/dbraw/zinc/36/98/03/873369803.db2.gz ZFDMTIQGYBWNJP-KSSFIOAISA-N 1 1 377.410 3.741 10 0 GHAEMO COc1ccc([C@H](C)CC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000176606285 882718939 /nfs/dbraw/zinc/71/89/39/882718939.db2.gz KUBDCAQRAHKUJS-FGSXEWAUSA-N 1 1 381.520 3.611 10 0 GHAEMO CC(=O)c1cccc(OCCCC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000116671052 873616402 /nfs/dbraw/zinc/61/64/02/873616402.db2.gz SHWXWXAYGKLKKN-UHFFFAOYSA-N 1 1 395.503 3.537 10 0 GHAEMO CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116970105 873798799 /nfs/dbraw/zinc/79/87/99/873798799.db2.gz SFOWIRKWVZJFRE-UHFFFAOYSA-N 1 1 382.508 3.599 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177306785 882818671 /nfs/dbraw/zinc/81/86/71/882818671.db2.gz QIKDXMGNNBRJQM-IERDGZPVSA-N 1 1 392.503 3.633 10 0 GHAEMO CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000179427865 882998601 /nfs/dbraw/zinc/99/86/01/882998601.db2.gz HKJHWVMBTWFOPQ-FUHWJXTLSA-N 1 1 376.451 3.652 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N(C)Cc3cc(F)c(F)c(F)c3)CC2)[nH+]1 ZINC000180675561 883092721 /nfs/dbraw/zinc/09/27/21/883092721.db2.gz NAJCBVMMZDXTPU-UHFFFAOYSA-N 1 1 392.425 3.618 10 0 GHAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000180826656 883101354 /nfs/dbraw/zinc/10/13/54/883101354.db2.gz FZEMNHPNIMFEKL-QWHCGFSZSA-N 1 1 389.849 3.856 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000121886860 877924343 /nfs/dbraw/zinc/92/43/43/877924343.db2.gz HFOIKWZXXVKPOL-UHFFFAOYSA-N 1 1 386.546 3.603 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1 ZINC000121897104 877930441 /nfs/dbraw/zinc/93/04/41/877930441.db2.gz FXSITUXLRLCYKJ-UHFFFAOYSA-N 1 1 392.503 3.879 10 0 GHAEMO Cc1ccc(C(=O)CCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000184034974 883301674 /nfs/dbraw/zinc/30/16/74/883301674.db2.gz MDAMDBLKAKDZBY-UGKGYDQZSA-N 1 1 393.531 3.770 10 0 GHAEMO Cc1ccc(C(=O)CCCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000184034974 883301691 /nfs/dbraw/zinc/30/16/91/883301691.db2.gz MDAMDBLKAKDZBY-UGKGYDQZSA-N 1 1 393.531 3.770 10 0 GHAEMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183814372 883303814 /nfs/dbraw/zinc/30/38/14/883303814.db2.gz HRMJKNZDIMIRNP-SFHVURJKSA-N 1 1 380.536 3.746 10 0 GHAEMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183814372 883303832 /nfs/dbraw/zinc/30/38/32/883303832.db2.gz HRMJKNZDIMIRNP-SFHVURJKSA-N 1 1 380.536 3.746 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1scnc1C1CCCC1 ZINC000184896800 883390436 /nfs/dbraw/zinc/39/04/36/883390436.db2.gz KTYMMHLDMQMRRC-YJBOKZPZSA-N 1 1 384.549 3.836 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)[nH+]c1 ZINC000185812935 883576411 /nfs/dbraw/zinc/57/64/11/883576411.db2.gz LSIALNNJUOTBLE-HOTGVXAUSA-N 1 1 389.421 3.696 10 0 GHAEMO C[C@@H](CCNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)[N@@H+](C)Cc1ccccc1 ZINC000186595782 883667473 /nfs/dbraw/zinc/66/74/73/883667473.db2.gz UHTQTJVAYVLBLJ-INIZCTEOSA-N 1 1 395.507 3.696 10 0 GHAEMO CCOc1cccc2[nH]cc(CC(=O)NC3CCN(c4ccc(C)c[nH+]4)CC3)c21 ZINC000189005120 883897979 /nfs/dbraw/zinc/89/79/79/883897979.db2.gz SOFBQHLHFIXWLU-UHFFFAOYSA-N 1 1 392.503 3.598 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000192182387 884244908 /nfs/dbraw/zinc/24/49/08/884244908.db2.gz HZDKXCMGAPLUCC-UHFFFAOYSA-N 1 1 398.251 3.556 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000116250866 886358319 /nfs/dbraw/zinc/35/83/19/886358319.db2.gz NXOJTDPWPDRQHE-LPHOPBHVSA-N 1 1 395.551 3.551 10 0 GHAEMO COc1cc(F)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000133424993 887764221 /nfs/dbraw/zinc/76/42/21/887764221.db2.gz AUICGKPFTVUKTQ-DOTOQJQBSA-N 1 1 386.467 3.626 10 0 GHAEMO Cc1c(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cccc1C(F)(F)F ZINC000135204963 887956589 /nfs/dbraw/zinc/95/65/89/887956589.db2.gz JQKJCHRKOSBBSM-ZDUSSCGKSA-N 1 1 385.430 3.731 10 0 GHAEMO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)C[N@H+](C)C3)c1 ZINC000194513972 888609227 /nfs/dbraw/zinc/60/92/27/888609227.db2.gz NRYBRPBPIXNMMU-MRXNPFEDSA-N 1 1 394.519 3.553 10 0 GHAEMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195342565 888681056 /nfs/dbraw/zinc/68/10/56/888681056.db2.gz ZZMAKYKYYNJZJG-IRXDYDNUSA-N 1 1 384.549 3.950 10 0 GHAEMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195342565 888681064 /nfs/dbraw/zinc/68/10/64/888681064.db2.gz ZZMAKYKYYNJZJG-IRXDYDNUSA-N 1 1 384.549 3.950 10 0 GHAEMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195346664 888681515 /nfs/dbraw/zinc/68/15/15/888681515.db2.gz ISZGXCLJLVNGFU-KBPBESRZSA-N 1 1 381.509 3.595 10 0 GHAEMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195346664 888681519 /nfs/dbraw/zinc/68/15/19/888681519.db2.gz ISZGXCLJLVNGFU-KBPBESRZSA-N 1 1 381.509 3.595 10 0 GHAEMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195508859 888683015 /nfs/dbraw/zinc/68/30/15/888683015.db2.gz PGUNYBHFTKFUFI-ZWKOTPCHSA-N 1 1 398.551 3.596 10 0 GHAEMO Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245463998 888760022 /nfs/dbraw/zinc/76/00/22/888760022.db2.gz PDVQVSHNQHSBPV-UZLBHIALSA-N 1 1 390.487 3.685 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000245565462 888965847 /nfs/dbraw/zinc/96/58/47/888965847.db2.gz PNVIQGSDPAGYMO-IIBYNOLFSA-N 1 1 399.485 3.808 10 0 GHAEMO Cc1nnc([C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)[nH]1 ZINC000245718979 889480396 /nfs/dbraw/zinc/48/03/96/889480396.db2.gz OMBWUZNCMBXFOJ-GPJHCHHRSA-N 1 1 387.531 3.988 10 0 GHAEMO Cc1nc([C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)n[nH]1 ZINC000245718979 889480401 /nfs/dbraw/zinc/48/04/01/889480401.db2.gz OMBWUZNCMBXFOJ-GPJHCHHRSA-N 1 1 387.531 3.988 10 0 GHAEMO Cc1nc([C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)n[nH]1 ZINC000245718979 889480406 /nfs/dbraw/zinc/48/04/06/889480406.db2.gz OMBWUZNCMBXFOJ-GPJHCHHRSA-N 1 1 387.531 3.988 10 0 GHAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000245973908 890113615 /nfs/dbraw/zinc/11/36/15/890113615.db2.gz FZEMNHPNIMFEKL-STQMWFEESA-N 1 1 389.849 3.856 10 0 GHAEMO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Cc1cccs1 ZINC000246551119 891285819 /nfs/dbraw/zinc/28/58/19/891285819.db2.gz YRARUINNQHFOGB-ABSDTBQOSA-N 1 1 386.565 3.532 10 0 GHAEMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 ZINC000246871032 891319551 /nfs/dbraw/zinc/31/95/51/891319551.db2.gz UQCNLYKBVTXVLO-YJBOKZPZSA-N 1 1 387.911 3.870 10 0 GHAEMO CSc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246886151 891320592 /nfs/dbraw/zinc/32/05/92/891320592.db2.gz GISIRZCLUHCKSM-OXQOHEQNSA-N 1 1 384.549 3.513 10 0 GHAEMO CSc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246886129 891320938 /nfs/dbraw/zinc/32/09/38/891320938.db2.gz GISIRZCLUHCKSM-OXJNMPFZSA-N 1 1 384.549 3.513 10 0 GHAEMO COc1cccc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)cs2)c1OC ZINC000246887340 891321330 /nfs/dbraw/zinc/32/13/30/891321330.db2.gz LYYXXAOPHNWJMX-NVXWUHKLSA-N 1 1 392.546 3.534 10 0 GHAEMO COc1cccc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)cs2)c1OC ZINC000246887340 891321346 /nfs/dbraw/zinc/32/13/46/891321346.db2.gz LYYXXAOPHNWJMX-NVXWUHKLSA-N 1 1 392.546 3.534 10 0 GHAEMO CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000247008544 891331841 /nfs/dbraw/zinc/33/18/41/891331841.db2.gz LMUGPWSHPMXQPZ-PGRDOPGGSA-N 1 1 393.531 3.561 10 0 GHAEMO C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247086935 891343729 /nfs/dbraw/zinc/34/37/29/891343729.db2.gz DMGBTGDRCFULJL-GJYPPUQNSA-N 1 1 387.911 3.529 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000247339707 891369875 /nfs/dbraw/zinc/36/98/75/891369875.db2.gz ZFDMTIQGYBWNJP-KBXCAEBGSA-N 1 1 377.410 3.741 10 0 GHAEMO Cc1cccnc1[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247560550 891385842 /nfs/dbraw/zinc/38/58/42/891385842.db2.gz USUFQCBVLKDHQZ-HMXCVIKNSA-N 1 1 395.551 3.692 10 0 GHAEMO CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247586088 891387796 /nfs/dbraw/zinc/38/77/96/891387796.db2.gz ZPCBXSYTOCVYBQ-XMSQKQJNSA-N 1 1 396.535 3.532 10 0 GHAEMO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2COC2CCOCC2)[C@H]1c1ccccc1 ZINC000248146514 891412605 /nfs/dbraw/zinc/41/26/05/891412605.db2.gz ZRMXNGUUCXEYAJ-DHIUTWEWSA-N 1 1 394.515 3.557 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1scnc1C1CCCC1 ZINC000248426346 891434387 /nfs/dbraw/zinc/43/43/87/891434387.db2.gz KTYMMHLDMQMRRC-CRAIPNDOSA-N 1 1 384.549 3.836 10 0 GHAEMO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333202211 900032347 /nfs/dbraw/zinc/03/23/47/900032347.db2.gz YDWPYGAVUQWSIX-GZBLMMOJSA-N 1 1 387.549 3.676 10 0 GHAEMO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333202211 900032367 /nfs/dbraw/zinc/03/23/67/900032367.db2.gz YDWPYGAVUQWSIX-GZBLMMOJSA-N 1 1 387.549 3.676 10 0 GHAEMO O=C(NCc1ccccc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000034684114 212160247 /nfs/dbraw/zinc/16/02/47/212160247.db2.gz UMDSMKTUWPAMSK-UHFFFAOYSA-N 1 1 389.499 3.527 10 0 GHAEMO CC(C)(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000012302638 221178188 /nfs/dbraw/zinc/17/81/88/221178188.db2.gz URQWKVCIHPLSCT-OAQYLSRUSA-N 1 1 388.943 3.962 10 0 GHAEMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 ZINC000012446638 221197009 /nfs/dbraw/zinc/19/70/09/221197009.db2.gz PJOIHBWFIDSCEE-IBGZPJMESA-N 1 1 394.494 3.758 10 0 GHAEMO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C1 ZINC000012446638 221197010 /nfs/dbraw/zinc/19/70/10/221197010.db2.gz PJOIHBWFIDSCEE-IBGZPJMESA-N 1 1 394.494 3.758 10 0 GHAEMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C1 ZINC000012446638 221197011 /nfs/dbraw/zinc/19/70/11/221197011.db2.gz PJOIHBWFIDSCEE-IBGZPJMESA-N 1 1 394.494 3.758 10 0 GHAEMO Cc1cc(C[N@H+]2CCC[C@@H](COc3ccc(C)cc3)C2)c(C)n1-n1cnnc1 ZINC000055402597 222022158 /nfs/dbraw/zinc/02/21/58/222022158.db2.gz DVMPPCWVZKVILP-HXUWFJFHSA-N 1 1 379.508 3.607 10 0 GHAEMO CCCOc1c(CNC[C@@H]2CCC[N@H+]2CC)cc(Br)cc1OC ZINC000020968388 570285579 /nfs/dbraw/zinc/28/55/79/570285579.db2.gz JSJKMMOAMBTGMF-INIZCTEOSA-N 1 1 385.346 3.820 10 0 GHAEMO CCCOc1c(C[NH2+]C[C@@H]2CCCN2CC)cc(Br)cc1OC ZINC000020968388 570285582 /nfs/dbraw/zinc/28/55/82/570285582.db2.gz JSJKMMOAMBTGMF-INIZCTEOSA-N 1 1 385.346 3.820 10 0 GHAEMO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccn2C)Cc2ccc(F)cc2)cc1 ZINC000036099081 570537075 /nfs/dbraw/zinc/53/70/75/570537075.db2.gz ZHFPGSWMDSFSCH-OAQYLSRUSA-N 1 1 398.478 3.615 10 0 GHAEMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2cccn2C)Cc2ccc(F)cc2)cc1 ZINC000036099081 570537079 /nfs/dbraw/zinc/53/70/79/570537079.db2.gz ZHFPGSWMDSFSCH-OAQYLSRUSA-N 1 1 398.478 3.615 10 0 GHAEMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc(C)cs3)CC2)cc1OC ZINC000156708787 834520983 /nfs/dbraw/zinc/52/09/83/834520983.db2.gz QCJTUXNGVJZNAF-CQSZACIVSA-N 1 1 389.521 3.675 10 0 GHAEMO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c12 ZINC000113222967 837821473 /nfs/dbraw/zinc/82/14/73/837821473.db2.gz UPGQJSVWIOJXTA-MAUKXSAKSA-N 1 1 390.487 3.815 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)CCc3c[nH]c4c3cccc4C)CC2)[nH+]c1 ZINC000157877068 835134221 /nfs/dbraw/zinc/13/42/21/835134221.db2.gz NBQSRVACICIVQW-UHFFFAOYSA-N 1 1 376.504 3.898 10 0 GHAEMO Cc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1OC(F)F ZINC000158065727 835207964 /nfs/dbraw/zinc/20/79/64/835207964.db2.gz GDYDJCLVTVBZLI-UHFFFAOYSA-N 1 1 378.423 3.817 10 0 GHAEMO Cc1cc(Br)cc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000329654260 835539026 /nfs/dbraw/zinc/53/90/26/835539026.db2.gz FFUXWYBNXJEPDH-RHSMWYFYSA-N 1 1 378.270 3.733 10 0 GHAEMO C[C@@H]1CCc2c(sc3nc(C[N@@H+]4CC[C@]5(O)CCCC[C@H]5C4)nc(N)c23)C1 ZINC000245542268 844080532 /nfs/dbraw/zinc/08/05/32/844080532.db2.gz RESGSHDMCVBQNQ-HKZYLEAXSA-N 1 1 386.565 3.525 10 0 GHAEMO C[C@@H]1CCc2c(sc3nc(C[N@H+]4CC[C@]5(O)CCCC[C@H]5C4)nc(N)c23)C1 ZINC000245542268 844080540 /nfs/dbraw/zinc/08/05/40/844080540.db2.gz RESGSHDMCVBQNQ-HKZYLEAXSA-N 1 1 386.565 3.525 10 0 GHAEMO Cc1nc(CC(C)C)c(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000159105400 835728818 /nfs/dbraw/zinc/72/88/18/835728818.db2.gz IXEHNJYRCDDXDU-UHFFFAOYSA-N 1 1 375.542 3.870 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3C)C2)c1 ZINC000106225166 840805273 /nfs/dbraw/zinc/80/52/73/840805273.db2.gz OHZIRBHCZVHXRR-MRXNPFEDSA-N 1 1 391.313 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1 1 387.553 3.670 10 0 GHAEMO CC(C)c1csc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000127650969 855054082 /nfs/dbraw/zinc/05/40/82/855054082.db2.gz XHODDIGOJQDWIS-CQSZACIVSA-N 1 1 387.505 3.813 10 0 GHAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000127650969 855054085 /nfs/dbraw/zinc/05/40/85/855054085.db2.gz XHODDIGOJQDWIS-CQSZACIVSA-N 1 1 387.505 3.813 10 0 GHAEMO Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)c(C)c3)C2)c1 ZINC000106222743 855196385 /nfs/dbraw/zinc/19/63/85/855196385.db2.gz PQPCZXLACUJXGL-INIZCTEOSA-N 1 1 391.313 3.538 10 0 GHAEMO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)c(C)c3)C2)c1 ZINC000106222743 855196390 /nfs/dbraw/zinc/19/63/90/855196390.db2.gz PQPCZXLACUJXGL-INIZCTEOSA-N 1 1 391.313 3.538 10 0 GHAEMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000102695624 860819725 /nfs/dbraw/zinc/81/97/25/860819725.db2.gz KGJKLLLTYNMVJH-ZDUSSCGKSA-N 1 1 392.883 3.964 10 0 GHAEMO Cc1sc2nc(C)nc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3ccnn3C)c2c1C 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394.947 3.816 10 0 GHAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)C2)CC1 ZINC000175993337 882653632 /nfs/dbraw/zinc/65/36/32/882653632.db2.gz AZIBYUBNNJQOOY-PMECWSMQSA-N 1 1 387.612 3.612 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1ccccc1Cl ZINC000116249036 873370620 /nfs/dbraw/zinc/37/06/20/873370620.db2.gz NCQLVQUOIPOGRI-QAPCUYQASA-N 1 1 389.952 3.854 10 0 GHAEMO CC(=O)c1ccc(OCCCC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000116668968 873614243 /nfs/dbraw/zinc/61/42/43/873614243.db2.gz MWCJENKCFPYHLT-UHFFFAOYSA-N 1 1 395.503 3.537 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)N[C@@H](c3cccs3)C(C)(C)C)C2)CC1 ZINC000180411155 883056990 /nfs/dbraw/zinc/05/69/90/883056990.db2.gz RWNSEKFEGKUKIW-MJGOQNOKSA-N 1 1 392.613 3.647 10 0 GHAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)CCCc3ccc4ccccc4c3)C2)CC1 ZINC000181098046 883122001 /nfs/dbraw/zinc/12/20/01/883122001.db2.gz PRPZYUUADYFQIO-XMMPIXPASA-N 1 1 393.575 3.791 10 0 GHAEMO CCC(CC)[C@@H]1C[C@H](NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCO1 ZINC000181133058 883148652 /nfs/dbraw/zinc/14/86/52/883148652.db2.gz ROGVSATZMNHENQ-UXHICEINSA-N 1 1 388.556 3.642 10 0 GHAEMO O=C(CC[N@H+]1CCCN(c2ccccn2)CC1)Nc1ccccc1C(F)(F)F ZINC000183808335 883303922 /nfs/dbraw/zinc/30/39/22/883303922.db2.gz ZGCDMIIJCUEIHX-UHFFFAOYSA-N 1 1 392.425 3.641 10 0 GHAEMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183839255 883305860 /nfs/dbraw/zinc/30/58/60/883305860.db2.gz UCOICYJBSPLADT-OAHLLOKOSA-N 1 1 392.425 3.640 10 0 GHAEMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183839255 883305870 /nfs/dbraw/zinc/30/58/70/883305870.db2.gz UCOICYJBSPLADT-OAHLLOKOSA-N 1 1 392.425 3.640 10 0 GHAEMO CC(=O)N1CC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)c2ccc(F)cc2C1 ZINC000185360149 883440516 /nfs/dbraw/zinc/44/05/16/883440516.db2.gz FJIOZUGSKUUSGA-QFIPXVFZSA-N 1 1 378.451 3.595 10 0 GHAEMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCOc4c(C)cccc43)CC2)cs1 ZINC000188097851 883822688 /nfs/dbraw/zinc/82/26/88/883822688.db2.gz BNRWPJMHUCUIRN-IBGZPJMESA-N 1 1 385.533 3.612 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCc1ccc(Cl)s1 ZINC000116533383 886365239 /nfs/dbraw/zinc/36/52/39/886365239.db2.gz ACULDCYGBUCFQF-PBHICJAKSA-N 1 1 392.956 3.549 10 0 GHAEMO CC(C)Cn1cc(C(F)F)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000120561157 886526454 /nfs/dbraw/zinc/52/64/54/886526454.db2.gz UXZJXQFGGYUFBC-YOEHRIQHSA-N 1 1 380.483 3.566 10 0 GHAEMO Cc1noc(-c2ccccc2)c1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000126247397 886948541 /nfs/dbraw/zinc/94/85/41/886948541.db2.gz MMRSYLZJZJDZSF-UHFFFAOYSA-N 1 1 379.464 3.870 10 0 GHAEMO Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245463997 888760238 /nfs/dbraw/zinc/76/02/38/888760238.db2.gz PDVQVSHNQHSBPV-OXQOHEQNSA-N 1 1 390.487 3.685 10 0 GHAEMO COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245732910 889550573 /nfs/dbraw/zinc/55/05/73/889550573.db2.gz FKCHJNCQVUZFHB-SJLPKXTDSA-N 1 1 377.506 3.828 10 0 GHAEMO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(OC)cc1 ZINC000245839647 889837762 /nfs/dbraw/zinc/83/77/62/889837762.db2.gz JKTILJNYJOKNES-VOQZNFBZSA-N 1 1 381.520 3.611 10 0 GHAEMO CC[C@H](C)n1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1C1CC1 ZINC000245865871 889885699 /nfs/dbraw/zinc/88/56/99/889885699.db2.gz LLAGEAWLYSXFOB-WWMYMODYSA-N 1 1 395.551 3.767 10 0 GHAEMO COc1cc(-c2noc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)n2)ccc1C ZINC000245947425 890058749 /nfs/dbraw/zinc/05/87/49/890058749.db2.gz OJQVTANZVDHBDG-DLBZAZTESA-N 1 1 383.448 3.735 10 0 GHAEMO COc1cc(-c2noc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)n2)ccc1C ZINC000245947425 890058761 /nfs/dbraw/zinc/05/87/61/890058761.db2.gz OJQVTANZVDHBDG-DLBZAZTESA-N 1 1 383.448 3.735 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3cccc(SC(F)F)c3)CC2)CCO1 ZINC000067356803 891148603 /nfs/dbraw/zinc/14/86/03/891148603.db2.gz GLXDVHYRXWFOBE-CYBMUJFWSA-N 1 1 385.480 3.718 10 0 GHAEMO 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891403903 /nfs/dbraw/zinc/40/39/03/891403903.db2.gz DDNNCWIQUZUSBF-GPXNEJASSA-N 1 1 389.499 3.512 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4ccc(F)c(F)c4)n3)CC[C@H]21 ZINC000248624229 891446342 /nfs/dbraw/zinc/44/63/42/891446342.db2.gz YQSLAPHTZVGQQU-CXAGYDPISA-N 1 1 377.460 3.645 10 0 GHAEMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 ZINC000249287681 891484574 /nfs/dbraw/zinc/48/45/74/891484574.db2.gz JGTGSJRJSMPGAD-ZWKOTPCHSA-N 1 1 396.539 3.600 10 0 GHAEMO CC(=O)Nc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000249046409 891491008 /nfs/dbraw/zinc/49/10/08/891491008.db2.gz FDROSIJGQINTTN-JXFKEZNVSA-N 1 1 379.504 3.736 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000252444629 891686418 /nfs/dbraw/zinc/68/64/18/891686418.db2.gz PNRCMUDCMJIUDT-MAUKXSAKSA-N 1 1 396.491 3.621 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000252444628 891686899 /nfs/dbraw/zinc/68/68/99/891686899.db2.gz PNRCMUDCMJIUDT-CRAIPNDOSA-N 1 1 396.491 3.621 10 0 GHAEMO Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000252444567 891687040 /nfs/dbraw/zinc/68/70/40/891687040.db2.gz PJBRIYHSXDUVIY-DENIHFKCSA-N 1 1 392.547 3.631 10 0 GHAEMO CCCOc1cc(C)ccc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079534441 892415696 /nfs/dbraw/zinc/41/56/96/892415696.db2.gz DYCWSEXIFNOMLL-QGZVFWFLSA-N 1 1 375.513 3.501 10 0 GHAEMO CCn1ncc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c1C ZINC000011843109 221132272 /nfs/dbraw/zinc/13/22/72/221132272.db2.gz ZMMDWGOBHPYYDS-HXUWFJFHSA-N 1 1 384.568 3.607 10 0 GHAEMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 ZINC000012446636 221197280 /nfs/dbraw/zinc/19/72/80/221197280.db2.gz PJOIHBWFIDSCEE-LJQANCHMSA-N 1 1 394.494 3.758 10 0 GHAEMO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C1 ZINC000012446636 221197284 /nfs/dbraw/zinc/19/72/84/221197284.db2.gz PJOIHBWFIDSCEE-LJQANCHMSA-N 1 1 394.494 3.758 10 0 GHAEMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C1 ZINC000012446636 221197285 /nfs/dbraw/zinc/19/72/85/221197285.db2.gz PJOIHBWFIDSCEE-LJQANCHMSA-N 1 1 394.494 3.758 10 0 GHAEMO CCCn1cc([C@@H]2C[C@H]3CN(c4cccc(OC)c4)C(=O)[C@]34CCC[N@@H+]24)c(C)n1 ZINC000012465673 221197948 /nfs/dbraw/zinc/19/79/48/221197948.db2.gz XYQLQBVRNQQUDD-HYVJGQCMSA-N 1 1 394.519 3.553 10 0 GHAEMO Cc1cc(C[N@H+]2CCC[C@H](COc3ccc(C)cc3)C2)c(C)n1-n1cnnc1 ZINC000055402599 222022256 /nfs/dbraw/zinc/02/22/56/222022256.db2.gz DVMPPCWVZKVILP-FQEVSTJZSA-N 1 1 379.508 3.607 10 0 GHAEMO CC(=O)N1CCC([NH2+]Cc2nc(-c3ccccn3)c(-c3ccc(C)cc3)[nH]2)CC1 ZINC000067654357 222151913 /nfs/dbraw/zinc/15/19/13/222151913.db2.gz LKOCKUZLXYHDGS-UHFFFAOYSA-N 1 1 389.503 3.548 10 0 GHAEMO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2ccccc2)C[C@H](O)COC(C)C)C1 ZINC000035743013 570439446 /nfs/dbraw/zinc/43/94/46/570439446.db2.gz CLSOAVBFWRVZSE-FCHUYYIVSA-N 1 1 396.531 3.776 10 0 GHAEMO COC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840491 570463412 /nfs/dbraw/zinc/46/34/12/570463412.db2.gz DWXXZRRCHMIFPP-QHCPKHFHSA-N 1 1 382.479 3.685 10 0 GHAEMO COCCC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036095483 570535112 /nfs/dbraw/zinc/53/51/12/570535112.db2.gz OLGRWCBLJNVILU-LJQANCHMSA-N 1 1 381.875 3.758 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)c1 ZINC000246937838 835142342 /nfs/dbraw/zinc/14/23/42/835142342.db2.gz AYGJKXXTEGDCPM-UKRRQHHQSA-N 1 1 387.484 3.604 10 0 GHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)c1 ZINC000246937838 835142346 /nfs/dbraw/zinc/14/23/46/835142346.db2.gz AYGJKXXTEGDCPM-UKRRQHHQSA-N 1 1 387.484 3.604 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)Cc3csc(-c4cccs4)n3)CC2)[nH+]c1 ZINC000157941875 835163269 /nfs/dbraw/zinc/16/32/69/835163269.db2.gz XRSDQOZCXKHUPX-UHFFFAOYSA-N 1 1 398.557 3.903 10 0 GHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000158548595 835421859 /nfs/dbraw/zinc/42/18/59/835421859.db2.gz IRZQUFMRAGKVNQ-SFHVURJKSA-N 1 1 398.898 3.786 10 0 GHAEMO C[C@@H]1CCc2[nH]c3ccc(-c4nc([C@@H]5C[N@H+]6CCC[C@@H]6CO5)no4)cc3c2C1 ZINC000329726044 835792093 /nfs/dbraw/zinc/79/20/93/835792093.db2.gz OHZGMZXTPBGOIS-RCDCFZSISA-N 1 1 378.476 3.878 10 0 GHAEMO Brc1ccc([C@@H]2C[C@@H]2c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000329737581 835820813 /nfs/dbraw/zinc/82/08/13/835820813.db2.gz TWECFWYBYHINMF-UGUYLWEFSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1ccc([C@@H]2C[C@@H]2c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000329737581 835820821 /nfs/dbraw/zinc/82/08/21/835820821.db2.gz TWECFWYBYHINMF-UGUYLWEFSA-N 1 1 390.281 3.639 10 0 GHAEMO C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000246003895 835868277 /nfs/dbraw/zinc/86/82/77/835868277.db2.gz SCYVVAMSPQWOCZ-FHWLQOOXSA-N 1 1 387.915 3.745 10 0 GHAEMO C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000246003895 835868283 /nfs/dbraw/zinc/86/82/83/835868283.db2.gz SCYVVAMSPQWOCZ-FHWLQOOXSA-N 1 1 387.915 3.745 10 0 GHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2ccc(Br)cc2)C1 ZINC000152962271 838351121 /nfs/dbraw/zinc/35/11/21/838351121.db2.gz ZVWOXOKRXZULEZ-INIZCTEOSA-N 1 1 391.313 3.755 10 0 GHAEMO Cc1cc(-c2cc(C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)c3c(C)noc3n2)c(C)o1 ZINC000408145014 841139624 /nfs/dbraw/zinc/13/96/24/841139624.db2.gz PFWGWKCACQCVPN-BEFAXECRSA-N 1 1 394.475 3.574 10 0 GHAEMO Cc1c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cnn1-c1cc(C)ccc1C ZINC000162683119 842188301 /nfs/dbraw/zinc/18/83/01/842188301.db2.gz GYXVFVBDRCGXMU-UHFFFAOYSA-N 1 1 391.519 3.626 10 0 GHAEMO C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162327257 843237274 /nfs/dbraw/zinc/23/72/74/843237274.db2.gz QPMDMSFVMRKKFL-HNNXBMFYSA-N 1 1 375.513 3.769 10 0 GHAEMO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000408226529 843341169 /nfs/dbraw/zinc/34/11/69/843341169.db2.gz QBHUXQRUDAANET-HOCLYGCPSA-N 1 1 377.916 3.633 10 0 GHAEMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C\c1ncccc1C ZINC000588455818 843359339 /nfs/dbraw/zinc/35/93/39/843359339.db2.gz IYTYPYSOANZYMH-CBUFDYBVSA-N 1 1 379.504 3.622 10 0 GHAEMO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052685423 844721546 /nfs/dbraw/zinc/72/15/46/844721546.db2.gz BHOZVGOQPBJXLG-QGZVFWFLSA-N 1 1 382.508 3.912 10 0 GHAEMO C[C@H]1CCC[N@H+]1C1CCN(c2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC000154903004 849401912 /nfs/dbraw/zinc/40/19/12/849401912.db2.gz DCPTZGPUDZVHHZ-SFHVURJKSA-N 1 1 390.531 3.738 10 0 GHAEMO c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@H]3CN4CCC[C@H]4CO3)no1)CC2 ZINC000329747803 862288326 /nfs/dbraw/zinc/28/83/26/862288326.db2.gz ZPUICDTWBZKXTK-ZIFCJYIRSA-N 1 1 397.523 3.580 10 0 GHAEMO Brc1cccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1 ZINC000333871645 851883711 /nfs/dbraw/zinc/88/37/11/851883711.db2.gz UQQMIRQDEKPSGN-CAOSSQGBSA-N 1 1 390.281 3.639 10 0 GHAEMO Brc1cccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)c1 ZINC000333871645 851883717 /nfs/dbraw/zinc/88/37/17/851883717.db2.gz UQQMIRQDEKPSGN-CAOSSQGBSA-N 1 1 390.281 3.639 10 0 GHAEMO Cc1cc([C@@H]2CCCN(c3ccnc(N[C@@H]4CCCO[C@H]4C(C)C)n3)C2)[nH]n1 ZINC000328786069 854556214 /nfs/dbraw/zinc/55/62/14/854556214.db2.gz JACWGZKUGFRMLY-HLIPFELVSA-N 1 1 384.528 3.508 10 0 GHAEMO Cc1cc([C@@H]2CCCN(c3cc[nH+]c(N[C@@H]4CCCO[C@H]4C(C)C)n3)C2)n[nH]1 ZINC000328786069 854556220 /nfs/dbraw/zinc/55/62/20/854556220.db2.gz JACWGZKUGFRMLY-HLIPFELVSA-N 1 1 384.528 3.508 10 0 GHAEMO O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103177604 863902040 /nfs/dbraw/zinc/90/20/40/863902040.db2.gz ZXLQRZKEIUBBJD-QHCPKHFHSA-N 1 1 386.499 3.529 10 0 GHAEMO CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000333016956 864617233 /nfs/dbraw/zinc/61/72/33/864617233.db2.gz YOEFDOFPMZYKKL-OYNPSCLESA-N 1 1 389.588 3.659 10 0 GHAEMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249918303 864912782 /nfs/dbraw/zinc/91/27/82/864912782.db2.gz XZILWEGQVBNNON-LSDHHAIUSA-N 1 1 387.505 3.511 10 0 GHAEMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249918303 864912788 /nfs/dbraw/zinc/91/27/88/864912788.db2.gz XZILWEGQVBNNON-LSDHHAIUSA-N 1 1 387.505 3.511 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)CCCc1ccccc1 ZINC000172194070 882176486 /nfs/dbraw/zinc/17/64/86/882176486.db2.gz FCXOBVFUJCTCFR-UGKGYDQZSA-N 1 1 380.536 3.566 10 0 GHAEMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000172350515 882185823 /nfs/dbraw/zinc/18/58/23/882185823.db2.gz XKSNVSYRXZTCGV-HOTGVXAUSA-N 1 1 398.469 3.596 10 0 GHAEMO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000173682064 882391874 /nfs/dbraw/zinc/39/18/74/882391874.db2.gz SRISUWDODJKSIB-HNNXBMFYSA-N 1 1 377.916 3.520 10 0 GHAEMO Cc1cc(C(=O)NC2CC[NH+](Cc3c(Cl)n(C)nc3C(C)C)CC2)c(C)o1 ZINC000093009467 882476499 /nfs/dbraw/zinc/47/64/99/882476499.db2.gz ZRQHLAMBCWMEMD-UHFFFAOYSA-N 1 1 392.931 3.801 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCOc1ccccc1Cl ZINC000116244855 873366409 /nfs/dbraw/zinc/36/64/09/873366409.db2.gz PDUQMLMJEVPBTN-APWZRJJASA-N 1 1 387.911 3.531 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1OCC1CC1 ZINC000116248521 873367757 /nfs/dbraw/zinc/36/77/57/873367757.db2.gz WUDSRAIALJIHHZ-UTKZUKDTSA-N 1 1 379.504 3.511 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1c(Cl)cccc1Cl ZINC000116250286 873370674 /nfs/dbraw/zinc/37/06/74/873370674.db2.gz FTKSMKMJTFGZLA-LIRRHRJNSA-N 1 1 392.330 3.958 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCO[C@H]3c3ccccc3)CC2)[nH+]1 ZINC000116666599 873614859 /nfs/dbraw/zinc/61/48/59/873614859.db2.gz NCNHDVRALXNCFU-IRLDBZIGSA-N 1 1 379.504 3.643 10 0 GHAEMO COCCOc1cc(C)ccc1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000117001998 873846977 /nfs/dbraw/zinc/84/69/77/873846977.db2.gz CLLPGTSQCUIUGI-UHFFFAOYSA-N 1 1 398.507 3.514 10 0 GHAEMO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000178475274 882895067 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LUJNPFBGYZGECR-IAGOWNOFSA-N 1 1 375.513 3.581 10 0 GHAEMO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000172879051 859490374 /nfs/dbraw/zinc/49/03/74/859490374.db2.gz DWGLZFLSFHSVGB-HNNXBMFYSA-N 1 1 392.931 3.570 10 0 GHAEMO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000172879051 859490379 /nfs/dbraw/zinc/49/03/79/859490379.db2.gz DWGLZFLSFHSVGB-HNNXBMFYSA-N 1 1 392.931 3.570 10 0 GHAEMO COc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000103185333 863906072 /nfs/dbraw/zinc/90/60/72/863906072.db2.gz MPGBXNGEPSRMTK-HKUYNNGSSA-N 1 1 399.510 3.759 10 0 GHAEMO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367209450 868283163 /nfs/dbraw/zinc/28/31/63/868283163.db2.gz QGESFRZNFRCVTL-CQSZACIVSA-N 1 1 378.948 3.533 10 0 GHAEMO CC(=O)N(c1nc(CN2CCC[N@H+](C3CC3)CC2)cs1)c1ccc(F)cc1 ZINC000172542870 882293628 /nfs/dbraw/zinc/29/36/28/882293628.db2.gz ZXRPKNTVLAFGMY-UHFFFAOYSA-N 1 1 388.512 3.637 10 0 GHAEMO COc1cc2c(cc1NC(=O)CN1CCC[N@H+](C3CC3)CC1)oc1ccccc12 ZINC000172543320 882294356 /nfs/dbraw/zinc/29/43/56/882294356.db2.gz PFURIUQEGOYKKN-UHFFFAOYSA-N 1 1 393.487 3.703 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N(Cc3ccco3)Cc3ccco3)CC2)[nH+]c1 ZINC000173372876 882357735 /nfs/dbraw/zinc/35/77/35/882357735.db2.gz AJUVQEZOPKZQCO-UHFFFAOYSA-N 1 1 394.475 3.957 10 0 GHAEMO COC(=O)CC[N@@H+](Cc1ncc(-c2ccccc2Cl)o1)C1CCOCC1 ZINC000174440661 882469434 /nfs/dbraw/zinc/46/94/34/882469434.db2.gz DMHIVJFWLRWMCV-UHFFFAOYSA-N 1 1 378.856 3.539 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3cccc(Oc4ccccn4)c3)CC2)CCO1 ZINC000174510661 882473834 /nfs/dbraw/zinc/47/38/34/882473834.db2.gz SBJVWGSRMQBQAY-KRWDZBQOSA-N 1 1 396.491 3.591 10 0 GHAEMO Cn1nc(-c2ccccc2)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1Cl ZINC000093134450 882493774 /nfs/dbraw/zinc/49/37/74/882493774.db2.gz HQUKVXOEDZPVKZ-MRXNPFEDSA-N 1 1 396.926 3.658 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000116246815 873368579 /nfs/dbraw/zinc/36/85/79/873368579.db2.gz RNTPCIOMZCOPHG-UWJYYQICSA-N 1 1 376.504 3.522 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000116246700 873368799 /nfs/dbraw/zinc/36/87/99/873368799.db2.gz PWOORFOUMOKISS-KUHUBIRLSA-N 1 1 392.330 3.958 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000116249085 873370101 /nfs/dbraw/zinc/37/01/01/873370101.db2.gz NKNMFGZWBRSXJE-RUUIYCEZSA-N 1 1 386.499 3.670 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000116251024 873370524 /nfs/dbraw/zinc/37/05/24/873370524.db2.gz APQJCUXXIPQCLE-JXFKEZNVSA-N 1 1 383.923 3.793 10 0 GHAEMO CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000176615043 882719086 /nfs/dbraw/zinc/71/90/86/882719086.db2.gz SCLXSJGYBYHMDK-GOSISDBHSA-N 1 1 394.519 3.540 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)N[C@@H](c3ncccc3C)C(C)C)CC2)[nH+]c1 ZINC000176811451 882739889 /nfs/dbraw/zinc/73/98/89/882739889.db2.gz VSOFQRLDSNIXOJ-HXUWFJFHSA-N 1 1 381.524 3.759 10 0 GHAEMO COc1cccc(F)c1[C@H](C)NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000176855892 882744420 /nfs/dbraw/zinc/74/44/20/882744420.db2.gz RGIUGDBZDLCLFN-HNNXBMFYSA-N 1 1 386.471 3.567 10 0 GHAEMO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)CCO1 ZINC000177117550 882762810 /nfs/dbraw/zinc/76/28/10/882762810.db2.gz SKDPZTDLAYHRLP-AWEZNQCLSA-N 1 1 388.895 3.524 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)CCO1 ZINC000177117550 882762820 /nfs/dbraw/zinc/76/28/20/882762820.db2.gz SKDPZTDLAYHRLP-AWEZNQCLSA-N 1 1 388.895 3.524 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000178851274 882958510 /nfs/dbraw/zinc/95/85/10/882958510.db2.gz LYOOSSUZKMPRLC-QGZVFWFLSA-N 1 1 388.512 3.760 10 0 GHAEMO COc1cc(CN2CCC[N@H+](C3CC3)CC2)ccc1OCc1c(C)noc1C ZINC000179733361 882997206 /nfs/dbraw/zinc/99/72/06/882997206.db2.gz NDOYXUUHKKCVQT-UHFFFAOYSA-N 1 1 385.508 3.549 10 0 GHAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CCO1 ZINC000180044110 883047506 /nfs/dbraw/zinc/04/75/06/883047506.db2.gz SWHLUDPHGXPDSJ-GFCCVEGCSA-N 1 1 390.833 3.684 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000180858897 883103915 /nfs/dbraw/zinc/10/39/15/883103915.db2.gz POTARNOWOGQTEW-UTKZUKDTSA-N 1 1 376.504 3.522 10 0 GHAEMO Cc1nn(-c2ccccc2)cc1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000183679896 883279611 /nfs/dbraw/zinc/27/96/11/883279611.db2.gz AJCWEALPSCBKKL-UHFFFAOYSA-N 1 1 390.491 3.675 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1scnc1C1CCCC1 ZINC000184896781 883390746 /nfs/dbraw/zinc/39/07/46/883390746.db2.gz KTYMMHLDMQMRRC-QAPCUYQASA-N 1 1 384.549 3.836 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc2ccn(C)c21 ZINC000190019939 884043271 /nfs/dbraw/zinc/04/32/71/884043271.db2.gz OPXFLKUNBHTVBO-LPHOPBHVSA-N 1 1 377.492 3.605 10 0 GHAEMO CCCNc1ccc(CNC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000192492225 884266188 /nfs/dbraw/zinc/26/61/88/884266188.db2.gz FJEFCJYSIXUYBJ-UHFFFAOYSA-N 1 1 381.524 3.680 10 0 GHAEMO COc1cccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1OC(F)F ZINC000121040548 886538180 /nfs/dbraw/zinc/53/81/80/886538180.db2.gz RMPOTMYQLOHNFH-UHFFFAOYSA-N 1 1 396.478 3.911 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)NCc2cccc(COC(C)(C)C)c2)CC1 ZINC000125861519 886906722 /nfs/dbraw/zinc/90/67/22/886906722.db2.gz JHZXNJSRTIBFAH-UHFFFAOYSA-N 1 1 398.551 3.900 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3cnn(CC(C)C)c3C(F)F)CC2)[nH+]1 ZINC000135037464 887936008 /nfs/dbraw/zinc/93/60/08/887936008.db2.gz NOQSHRRIBIXQSK-UHFFFAOYSA-N 1 1 391.466 3.579 10 0 GHAEMO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCC[N@H+](C4CC4)CC3)c12 ZINC000061604380 888492288 /nfs/dbraw/zinc/49/22/88/888492288.db2.gz YUYNKGJLIVNSKW-UHFFFAOYSA-N 1 1 395.551 3.682 10 0 GHAEMO Cc1nn(C)c(C)c1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245559477 888942769 /nfs/dbraw/zinc/94/27/69/888942769.db2.gz IEHMKJCUHDOOMQ-HKUYNNGSSA-N 1 1 392.906 3.783 10 0 GHAEMO Cc1nn(C)c(C)c1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245559477 888942773 /nfs/dbraw/zinc/94/27/73/888942773.db2.gz IEHMKJCUHDOOMQ-HKUYNNGSSA-N 1 1 392.906 3.783 10 0 GHAEMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OCc1cccnc1 ZINC000245725750 889484945 /nfs/dbraw/zinc/48/49/45/889484945.db2.gz DSDUKQAZRONZIT-GHTZIAJQSA-N 1 1 392.503 3.949 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000246004881 890165015 /nfs/dbraw/zinc/16/50/15/890165015.db2.gz YSGWJZFLIVHREZ-VGOFRKELSA-N 1 1 375.472 3.982 10 0 GHAEMO C[C@H]1C[N@H+](C2CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)CCO1 ZINC000066561487 891124360 /nfs/dbraw/zinc/12/43/60/891124360.db2.gz QVYIXZKEWPFACM-IBGZPJMESA-N 1 1 393.531 3.624 10 0 GHAEMO C[C@H]1CN(C2CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)CCO1 ZINC000066561487 891124365 /nfs/dbraw/zinc/12/43/65/891124365.db2.gz QVYIXZKEWPFACM-IBGZPJMESA-N 1 1 393.531 3.624 10 0 GHAEMO CSc1ccc(Cl)cc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000068314205 891175276 /nfs/dbraw/zinc/17/52/76/891175276.db2.gz OPEDTYJQYXVETH-CYBMUJFWSA-N 1 1 383.945 3.779 10 0 GHAEMO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1F ZINC000246718488 891300358 /nfs/dbraw/zinc/30/03/58/891300358.db2.gz NYDFRBCBOVUYTB-VWKPWSFCSA-N 1 1 387.474 3.880 10 0 GHAEMO c1c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(-c2ccncc2)nn1-c1ccccc1 ZINC000246817708 891310603 /nfs/dbraw/zinc/31/06/03/891310603.db2.gz RFYAUTCOFHZSNE-RTWAWAEBSA-N 1 1 392.528 3.641 10 0 GHAEMO c1c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c(-c2ccncc2)nn1-c1ccccc1 ZINC000246817708 891310619 /nfs/dbraw/zinc/31/06/19/891310619.db2.gz RFYAUTCOFHZSNE-RTWAWAEBSA-N 1 1 392.528 3.641 10 0 GHAEMO O=C(C[C@H]1CSCCS1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000246892389 891320845 /nfs/dbraw/zinc/32/08/45/891320845.db2.gz XHMWNQDZNSGNHG-IPQPSQTFSA-N 1 1 376.591 3.537 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000246911805 891324011 /nfs/dbraw/zinc/32/40/11/891324011.db2.gz MDKCLDUMKGCCJS-FXAWDEMLSA-N 1 1 376.504 3.553 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000247133757 891348483 /nfs/dbraw/zinc/34/84/83/891348483.db2.gz HHHTWJHSCJCNDQ-MGPUTAFESA-N 1 1 394.906 3.924 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1sccc1Br ZINC000247218514 891356142 /nfs/dbraw/zinc/35/61/42/891356142.db2.gz MWZMOEJIWVBRNF-IUODEOHRSA-N 1 1 394.338 3.546 10 0 GHAEMO O=C(CC[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1cc(Cl)ccc1Cl ZINC000247286605 891363563 /nfs/dbraw/zinc/36/35/63/891363563.db2.gz TXFDVJZNBKFIIV-CABCVRRESA-N 1 1 375.321 3.528 10 0 GHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(Oc4cccnc4)c(F)c3)CC[C@H]21 ZINC000247290559 891363896 /nfs/dbraw/zinc/36/38/96/891363896.db2.gz UDBQZXPREVIYAN-YLJYHZDGSA-N 1 1 398.482 3.639 10 0 GHAEMO COc1ccc(-c2nc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cs2)c(OC)c1 ZINC000247934297 891400137 /nfs/dbraw/zinc/40/01/37/891400137.db2.gz CGZMJFRXNHZTBM-HNAYVOBHSA-N 1 1 387.549 3.743 10 0 GHAEMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249867640 891528555 /nfs/dbraw/zinc/52/85/55/891528555.db2.gz IKGODUOMKFLIJZ-CHWSQXEVSA-N 1 1 381.448 3.951 10 0 GHAEMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249867640 891528567 /nfs/dbraw/zinc/52/85/67/891528567.db2.gz IKGODUOMKFLIJZ-CHWSQXEVSA-N 1 1 381.448 3.951 10 0 GHAEMO Nc1nc(N)c2cc(CN(C=O)c3ccc4cc(Cl)ccc4c3)ccc2[nH+]1 ZINC000001565348 212144881 /nfs/dbraw/zinc/14/48/81/212144881.db2.gz BJJHXYFBMCWSPM-UHFFFAOYSA-N 1 1 377.835 3.764 10 0 GHAEMO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@@H](C(=O)OC)c1ccccc1 ZINC000503990674 533370248 /nfs/dbraw/zinc/37/02/48/533370248.db2.gz OMTBLFCKFVDJFM-PWRODBHTSA-N 1 1 381.472 3.712 10 0 GHAEMO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@@H](C(=O)OC)c1ccccc1 ZINC000503990674 533370250 /nfs/dbraw/zinc/37/02/50/533370250.db2.gz OMTBLFCKFVDJFM-PWRODBHTSA-N 1 1 381.472 3.712 10 0 GHAEMO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)cc1 ZINC000065403499 222127469 /nfs/dbraw/zinc/12/74/69/222127469.db2.gz IRAFCDYBBAJILE-FQEVSTJZSA-N 1 1 393.512 3.537 10 0 GHAEMO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)cc1 ZINC000065403499 222127472 /nfs/dbraw/zinc/12/74/72/222127472.db2.gz IRAFCDYBBAJILE-FQEVSTJZSA-N 1 1 393.512 3.537 10 0 GHAEMO CCCNC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000034857333 570341830 /nfs/dbraw/zinc/34/18/30/570341830.db2.gz PSGVWKRCNMBKJX-FQEVSTJZSA-N 1 1 397.519 3.512 10 0 GHAEMO CCCNC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000034857333 570341832 /nfs/dbraw/zinc/34/18/32/570341832.db2.gz PSGVWKRCNMBKJX-FQEVSTJZSA-N 1 1 397.519 3.512 10 0 GHAEMO Cc1ccccc1C1=NO[C@H](C[N@@H+](Cc2ccccc2)C[C@H](O)COC(C)C)C1 ZINC000035743012 570439461 /nfs/dbraw/zinc/43/94/61/570439461.db2.gz CLSOAVBFWRVZSE-VXKWHMMOSA-N 1 1 396.531 3.776 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000157171578 834784256 /nfs/dbraw/zinc/78/42/56/834784256.db2.gz PQVZSMBUQXETME-UHFFFAOYSA-N 1 1 395.276 3.808 10 0 GHAEMO Cc1ccc(N2CCC(NC(=O)CSc3ccc(F)c(F)c3)CC2)[nH+]c1 ZINC000157867381 835130502 /nfs/dbraw/zinc/13/05/02/835130502.db2.gz GDARFKYIHLVDMO-UHFFFAOYSA-N 1 1 377.460 3.546 10 0 GHAEMO C[C@@H]1CCc2c(sc3nc(C[N@@H+]4CC[C@@]5(O)CCCC[C@@H]5C4)nc(N)c23)C1 ZINC000245542271 844080473 /nfs/dbraw/zinc/08/04/73/844080473.db2.gz RESGSHDMCVBQNQ-LKBUQDJMSA-N 1 1 386.565 3.525 10 0 GHAEMO C[C@@H]1CCc2c(sc3nc(C[N@H+]4CC[C@@]5(O)CCCC[C@@H]5C4)nc(N)c23)C1 ZINC000245542271 844080483 /nfs/dbraw/zinc/08/04/83/844080483.db2.gz RESGSHDMCVBQNQ-LKBUQDJMSA-N 1 1 386.565 3.525 10 0 GHAEMO COc1cccc([C@@H]2[C@@H](NC(=O)/C=C\c3ccnc(Cl)c3)CC[N@H+]2C2CC2)c1 ZINC000588396709 840517406 /nfs/dbraw/zinc/51/74/06/840517406.db2.gz QOCFUIUWOCLEDG-NSRXHQGASA-N 1 1 397.906 3.851 10 0 GHAEMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000106179582 840669496 /nfs/dbraw/zinc/66/94/96/840669496.db2.gz RCVDKGUDYBVZEA-PBHICJAKSA-N 1 1 389.931 3.596 10 0 GHAEMO 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3.563 10 0 GHAEMO CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CC[NH2+]C[C@H]3c3cccnc3)sc2C1 ZINC000333370536 902042890 /nfs/dbraw/zinc/04/28/90/902042890.db2.gz UZKPAWJAPJSVCD-WBVHZDCISA-N 1 1 399.564 3.868 10 0 GHAEMO CCN1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632273 212087108 /nfs/dbraw/zinc/08/71/08/212087108.db2.gz LHIMYRKFPNSMNQ-DZFGPLHGSA-N 1 1 390.959 3.512 10 0 GHAEMO O=C(NC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1)c1cccs1 ZINC000015068444 221329827 /nfs/dbraw/zinc/32/98/27/221329827.db2.gz PMEVRQJPNUWJFP-INIZCTEOSA-N 1 1 380.517 3.780 10 0 GHAEMO C[N@@H+](Cc1ccc(Br)nc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074903 222329665 /nfs/dbraw/zinc/32/96/65/222329665.db2.gz FUGVRJPCOKXJEH-AWEZNQCLSA-N 1 1 384.318 3.675 10 0 GHAEMO C[N@@H+](Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1)Cc1cccnc1 ZINC000048175404 570220113 /nfs/dbraw/zinc/22/01/13/570220113.db2.gz VUWYCQVUOVJFQA-UHFFFAOYSA-N 1 1 383.455 3.526 10 0 GHAEMO CCCOc1c(Br)cc(Br)cc1C[NH2+]CCN(C)C ZINC000020967888 570285535 /nfs/dbraw/zinc/28/55/35/570285535.db2.gz HMYSTHHRNAYXNS-UHFFFAOYSA-N 1 1 394.151 3.652 10 0 GHAEMO C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036250241 570585237 /nfs/dbraw/zinc/58/52/37/570585237.db2.gz SRVIETLJXKJGAO-GHTZIAJQSA-N 1 1 391.600 3.527 10 0 GHAEMO Cc1nc([C@H]2CCCN2C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cs1 ZINC000186819214 834690954 /nfs/dbraw/zinc/69/09/54/834690954.db2.gz QTQDOXZGJHETOQ-GOSISDBHSA-N 1 1 385.537 3.670 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3cnn(CC(C)C)c3C3CC3)CC2)[nH+]1 ZINC000157121679 834763366 /nfs/dbraw/zinc/76/33/66/834763366.db2.gz AWNOEDIJOAFYBK-UHFFFAOYSA-N 1 1 381.524 3.519 10 0 GHAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000246429057 841213480 /nfs/dbraw/zinc/21/34/80/841213480.db2.gz MUVHCPWUZPXMJJ-JXFKEZNVSA-N 1 1 384.524 3.906 10 0 GHAEMO O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105016918 845927669 /nfs/dbraw/zinc/92/76/69/845927669.db2.gz RYMJOXWZUMWMON-IRXDYDNUSA-N 1 1 393.915 3.600 10 0 GHAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCc4ccccc43)CC2)cn1 ZINC000119643567 851363672 /nfs/dbraw/zinc/36/36/72/851363672.db2.gz PPLRYTXLSGCYAP-QFIPXVFZSA-N 1 1 395.551 3.588 10 0 GHAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCc4ccccc43)CC2)cn1 ZINC000119643567 851363681 /nfs/dbraw/zinc/36/36/81/851363681.db2.gz PPLRYTXLSGCYAP-QFIPXVFZSA-N 1 1 395.551 3.588 10 0 GHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccnc(N[C@@H]3CCCO[C@H]3C(C)C)n2)C1 ZINC000330126024 862596097 /nfs/dbraw/zinc/59/60/97/862596097.db2.gz IPAWIQBCHWPIQZ-OPYAIIAOSA-N 1 1 398.555 3.693 10 0 GHAEMO Cc1ccc(OCC[N@@H+](C)CC(=O)N[C@H](c2nccs2)c2ccccc2)cc1 ZINC000104097085 856309637 /nfs/dbraw/zinc/30/96/37/856309637.db2.gz OMPOBYRBSWECCK-NRFANRHFSA-N 1 1 395.528 3.668 10 0 GHAEMO Cc1ccc(OCC[N@H+](C)CC(=O)N[C@H](c2nccs2)c2ccccc2)cc1 ZINC000104097085 856309648 /nfs/dbraw/zinc/30/96/48/856309648.db2.gz OMPOBYRBSWECCK-NRFANRHFSA-N 1 1 395.528 3.668 10 0 GHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)C1 ZINC000171820885 860428972 /nfs/dbraw/zinc/42/89/72/860428972.db2.gz QWQONDRGCQKPTE-HNNXBMFYSA-N 1 1 382.508 3.714 10 0 GHAEMO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)nc2c1cccc2F ZINC000103140957 863931223 /nfs/dbraw/zinc/93/12/23/863931223.db2.gz KTDIBDZJCHGJNY-MRXNPFEDSA-N 1 1 395.482 3.749 10 0 GHAEMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)nc2c1cccc2F ZINC000103140957 863931231 /nfs/dbraw/zinc/93/12/31/863931231.db2.gz KTDIBDZJCHGJNY-MRXNPFEDSA-N 1 1 395.482 3.749 10 0 GHAEMO O[C@]12CCCC[C@H]1C[N@H+](Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000248217893 864963412 /nfs/dbraw/zinc/96/34/12/864963412.db2.gz ZZVFBINMDGZEFI-ZBEGNZNMSA-N 1 1 398.326 3.688 10 0 GHAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000248217893 864963418 /nfs/dbraw/zinc/96/34/18/864963418.db2.gz ZZVFBINMDGZEFI-ZBEGNZNMSA-N 1 1 398.326 3.688 10 0 GHAEMO Cc1csc(C2CCN(C(=O)C3CCN(c4ccc(C)c[nH+]4)CC3)CC2)n1 ZINC000171220727 882088824 /nfs/dbraw/zinc/08/88/24/882088824.db2.gz NFMDDBBZMPHZIZ-UHFFFAOYSA-N 1 1 384.549 3.778 10 0 GHAEMO CC(C)n1c2ccc(C(=O)N3CCC[N@H+](C4CC4)CC3)cc2nc1C(F)(F)F ZINC000172207304 882186908 /nfs/dbraw/zinc/18/69/08/882186908.db2.gz JZZDIXKFIABASX-UHFFFAOYSA-N 1 1 394.441 3.946 10 0 GHAEMO COc1cccc(F)c1[C@@H](C)NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000173369337 882357185 /nfs/dbraw/zinc/35/71/85/882357185.db2.gz GUCQYIBIWLLIBL-OAHLLOKOSA-N 1 1 386.471 3.567 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)c3cc4c(C(C)C)nn(C)c4s3)CC2)[nH+]1 ZINC000173532676 882375908 /nfs/dbraw/zinc/37/59/08/882375908.db2.gz DTBFLWRNWJQMND-UHFFFAOYSA-N 1 1 397.548 3.860 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000173642178 882388652 /nfs/dbraw/zinc/38/86/52/882388652.db2.gz OVCQVIBCVGYKIO-CSILHSIFSA-N 1 1 389.543 3.702 10 0 GHAEMO Cc1ccc(N2CCC(C(=O)N3CCC(Nc4ccccc4F)CC3)CC2)[nH+]c1 ZINC000174065868 882419904 /nfs/dbraw/zinc/41/99/04/882419904.db2.gz BQJHAMQUBIECQL-UHFFFAOYSA-N 1 1 396.510 3.849 10 0 GHAEMO COc1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)ccc1OCc1c(C)noc1C ZINC000092811011 882440453 /nfs/dbraw/zinc/44/04/53/882440453.db2.gz ICCLRARPHGQHIA-UHFFFAOYSA-N 1 1 396.491 3.982 10 0 GHAEMO CCOc1cc(F)ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116487245 873515947 /nfs/dbraw/zinc/51/59/47/873515947.db2.gz PDXAKXNGXKKTQZ-MAUKXSAKSA-N 1 1 386.471 3.652 10 0 GHAEMO CC[C@H](NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1nccs1 ZINC000177540025 882811543 /nfs/dbraw/zinc/81/15/43/882811543.db2.gz UMGPHCFSNKMWDL-JZXOWHBKSA-N 1 1 394.585 3.515 10 0 GHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000122046204 878241522 /nfs/dbraw/zinc/24/15/22/878241522.db2.gz CKTOIPFUSSCCJG-UHFFFAOYSA-N 1 1 387.483 3.746 10 0 GHAEMO Cc1ccc(C(=O)CCCC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000184426710 883335677 /nfs/dbraw/zinc/33/56/77/883335677.db2.gz MIHGDJDAEJZPQW-UHFFFAOYSA-N 1 1 379.504 3.837 10 0 GHAEMO CC(=O)N1CC[C@@H]([NH2+]Cc2csc(-c3ccccn3)n2)c2ccc(F)cc2C1 ZINC000185356417 883439172 /nfs/dbraw/zinc/43/91/72/883439172.db2.gz CSFONBFFIOJACL-LJQANCHMSA-N 1 1 396.491 3.927 10 0 GHAEMO O=C(C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1)N1CCCCCC1 ZINC000193113553 884313167 /nfs/dbraw/zinc/31/31/67/884313167.db2.gz WWEOMZGGDAQGCY-UHFFFAOYSA-N 1 1 384.549 3.820 10 0 GHAEMO O=c1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2sccn21 ZINC000114200847 886308179 /nfs/dbraw/zinc/30/81/79/886308179.db2.gz SHOQQDZVSNIYHC-INIZCTEOSA-N 1 1 391.500 3.526 10 0 GHAEMO O=c1[nH]c(CC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccccc21 ZINC000114481700 886313541 /nfs/dbraw/zinc/31/35/41/886313541.db2.gz IVMMKUPOMLLBEM-GOSISDBHSA-N 1 1 399.498 3.735 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc2cccnc21 ZINC000116412140 886361568 /nfs/dbraw/zinc/36/15/68/886361568.db2.gz UZNXAGQOWPKKQM-LPHOPBHVSA-N 1 1 375.476 3.662 10 0 GHAEMO C[C@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1cccc(OC(F)F)c1 ZINC000124141947 886710666 /nfs/dbraw/zinc/71/06/66/886710666.db2.gz WPBQJUQDNJWMSI-AWEZNQCLSA-N 1 1 392.450 3.747 10 0 GHAEMO Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CC2)[nH+]1 ZINC000124195332 886715965 /nfs/dbraw/zinc/71/59/65/886715965.db2.gz KOBAYAZSERSVFE-RTWAWAEBSA-N 1 1 394.519 3.578 10 0 GHAEMO CCCOc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1Cl ZINC000124867130 886805327 /nfs/dbraw/zinc/80/53/27/886805327.db2.gz KTRCYHMVMNNTCY-HNNXBMFYSA-N 1 1 395.931 3.846 10 0 GHAEMO CC[N@H+]1CC[C@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000245428852 888750603 /nfs/dbraw/zinc/75/06/03/888750603.db2.gz MUMZFSLZIUSFGR-YOEHRIQHSA-N 1 1 390.915 3.511 10 0 GHAEMO C[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245667763 889193339 /nfs/dbraw/zinc/19/33/39/889193339.db2.gz HLIDIIPNOWQQLW-QINHECLXSA-N 1 1 382.907 3.937 10 0 GHAEMO CCC(CC)n1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000245706184 889389193 /nfs/dbraw/zinc/38/91/93/889389193.db2.gz XSFFGIYOXJQMMU-IIBYNOLFSA-N 1 1 383.540 3.588 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000246117008 890403751 /nfs/dbraw/zinc/40/37/51/890403751.db2.gz RGCKNMYPWSQMIF-FDDCHVKYSA-N 1 1 386.499 3.784 10 0 GHAEMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246136978 890494906 /nfs/dbraw/zinc/49/49/06/890494906.db2.gz ZHDXVTTUDCXWAI-QFBILLFUSA-N 1 1 389.503 3.973 10 0 GHAEMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246136978 890494915 /nfs/dbraw/zinc/49/49/15/890494915.db2.gz ZHDXVTTUDCXWAI-QFBILLFUSA-N 1 1 389.503 3.973 10 0 GHAEMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000246155099 890558231 /nfs/dbraw/zinc/55/82/31/890558231.db2.gz KLQIARADNOSGPJ-SIKLNZKXSA-N 1 1 395.547 3.794 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000246625937 891293056 /nfs/dbraw/zinc/29/30/56/891293056.db2.gz CHFQTXWWCAHYHT-FXAWDEMLSA-N 1 1 396.560 3.852 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccccc1N1CCCC1 ZINC000246830319 891312347 /nfs/dbraw/zinc/31/23/47/891312347.db2.gz CKEGPEJMLGBRDQ-AZUAARDMSA-N 1 1 393.535 3.714 10 0 GHAEMO CCOc1cccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246858359 891316870 /nfs/dbraw/zinc/31/68/70/891316870.db2.gz DUJJAOIQMROVSC-KGVIQGDOSA-N 1 1 396.535 3.751 10 0 GHAEMO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000246867935 891317997 /nfs/dbraw/zinc/31/79/97/891317997.db2.gz FJKIIEUQVGXHPR-OXJNMPFZSA-N 1 1 399.922 3.725 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000246867935 891318014 /nfs/dbraw/zinc/31/80/14/891318014.db2.gz FJKIIEUQVGXHPR-OXJNMPFZSA-N 1 1 399.922 3.725 10 0 GHAEMO CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000246899745 891321981 /nfs/dbraw/zinc/32/19/81/891321981.db2.gz RJGKQAQOPHUWSH-RTBURBONSA-N 1 1 391.512 3.743 10 0 GHAEMO CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000246899745 891321994 /nfs/dbraw/zinc/32/19/94/891321994.db2.gz RJGKQAQOPHUWSH-RTBURBONSA-N 1 1 391.512 3.743 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)CC[C@H]21 ZINC000247024735 891334792 /nfs/dbraw/zinc/33/47/92/891334792.db2.gz QNBPKZFHEATKME-SWLSCSKDSA-N 1 1 389.849 3.713 10 0 GHAEMO Cc1nc2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)ccc2o1 ZINC000246926693 891345923 /nfs/dbraw/zinc/34/59/23/891345923.db2.gz IEYQHIVXCJJEEQ-KDOFPFPSSA-N 1 1 379.464 3.563 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSc1ccccc1Cl ZINC000247221589 891356707 /nfs/dbraw/zinc/35/67/07/891356707.db2.gz NCQLVQUOIPOGRI-CRAIPNDOSA-N 1 1 389.952 3.854 10 0 GHAEMO COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247569983 891387450 /nfs/dbraw/zinc/38/74/50/891387450.db2.gz WKSBKFIEZLLGSG-NPPFBWRTSA-N 1 1 396.535 3.703 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000247570046 891388520 /nfs/dbraw/zinc/38/85/20/891388520.db2.gz WLHPLKYXKAINBX-PGRDOPGGSA-N 1 1 378.520 3.666 10 0 GHAEMO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247919789 891400479 /nfs/dbraw/zinc/40/04/79/891400479.db2.gz BNUGENYSVZTYKF-JXFKEZNVSA-N 1 1 381.501 3.816 10 0 GHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(NC(=O)Nc4ccccc4)s3)CC[C@H]21 ZINC000248151891 891412155 /nfs/dbraw/zinc/41/21/55/891412155.db2.gz QVNLVWJAECZYEL-DOTOQJQBSA-N 1 1 398.532 3.948 10 0 GHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000248463040 891437986 /nfs/dbraw/zinc/43/79/86/891437986.db2.gz ACEPYIJQKZOKKT-PGRDOPGGSA-N 1 1 395.522 3.960 10 0 GHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000249427778 891506368 /nfs/dbraw/zinc/50/63/68/891506368.db2.gz IZUNBLUDYLZHBK-OLMNPRSZSA-N 1 1 398.473 3.712 10 0 GHAEMO C[C@@H](NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000249691001 891515925 /nfs/dbraw/zinc/51/59/25/891515925.db2.gz SATSRKRIQHPYFR-HUUCEWRRSA-N 1 1 399.457 3.661 10 0 GHAEMO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000253551579 891878702 /nfs/dbraw/zinc/87/87/02/891878702.db2.gz ZACMMUOXUNLVPT-FGTMMUONSA-N 1 1 398.551 3.608 10 0 GHAEMO C[C@]1(F)C[NH2+]CCN(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC000333255833 901945949 /nfs/dbraw/zinc/94/59/49/901945949.db2.gz DFCSAYZOFROFAR-YWZLYKJASA-N 1 1 388.512 3.581 10 0 GHAEMO O=C(NC[C@H]1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1)c1ccco1 ZINC000011955699 221141237 /nfs/dbraw/zinc/14/12/37/221141237.db2.gz CCSQFQXJWWVSOF-QGZVFWFLSA-N 1 1 387.549 3.579 10 0 GHAEMO CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)C[N@@H+]1CCC(=O)NC ZINC000091563436 136176699 /nfs/dbraw/zinc/17/66/99/136176699.db2.gz GZZKUTRSWCGTLR-JOCHJYFZSA-N 1 1 393.531 3.697 10 0 GHAEMO CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)C[N@H+]1CCC(=O)NC ZINC000091563436 136176700 /nfs/dbraw/zinc/17/67/00/136176700.db2.gz GZZKUTRSWCGTLR-JOCHJYFZSA-N 1 1 393.531 3.697 10 0 GHAEMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)N3CCOCC3)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065627 570526751 /nfs/dbraw/zinc/52/67/51/570526751.db2.gz SXUBRZUTKFDEKX-IBGZPJMESA-N 1 1 399.535 3.811 10 0 GHAEMO Cc1ccc(C[N@H+](Cc2nc(C(=O)N3CCOCC3)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065627 570526754 /nfs/dbraw/zinc/52/67/54/570526754.db2.gz SXUBRZUTKFDEKX-IBGZPJMESA-N 1 1 399.535 3.811 10 0 GHAEMO O=C1CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CCN1Cc1ccncc1 ZINC000012452437 570723394 /nfs/dbraw/zinc/72/33/94/570723394.db2.gz ZHJKUSHPXMXTKI-UHFFFAOYSA-N 1 1 383.495 3.887 10 0 GHAEMO